Vitas-M small molecule compound
3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-{[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl](4-methoxyphenyl)methyl}-3-[4-(methylsulfanyl)phenyl]propanamide
Catalog ID
STL551968
SMILES COCc1n[nH]c(n1)C(c1ccc(cc1)OC)NC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C38H39ClN4O9S MW 763.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H39ClN4O9S/c1-19-15-25(44)30(35(46)38(19)36(47)31-26(50-4)17-27(51-5)32(39)34(31)52-38)24(20-9-13-23(53-6)14-10-20)16-29(45)41-33(21-7-11-22(49-3)12-8-21)37-40-28(18-48-2)42-43-37/h7-14,17,19,24,33,46H,15-16,18H2,1-6H3,(H,41,45)(H,40,42,43)/t1InChIKey
BLVYLASRDKYYBZ-UIIHLDRUSA-NSynonyms
135640285
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N((5(methoxymethyl)1H124triazol3yl)(4methoxyphenyl)methyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)((5(methoxymethyl)1~(H)124triazol3yl)(4methoxyphenyl)methyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N((3(METHOXYMETHYL)1H124TRIAZOL5YL)(4METHOXYPHENYL)METHYL)3(4(METHYLSUL
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N((3(methoxymethyl)1H124triazol5yl)(4methoxyphenyl)methyl)3(4(methylsulfanyl)phenyl)propanamide
COCc1(nH)nc(n1)C(c1ccc(cc1)OC)NC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC
InChI=1SC38H39ClN4O9Sc1191525(44)30(35(46)38(19)36(47)3126(504)1727(515)32(39)34(31)5238)24(2091323(536)141020)1629(45)4133(2171122(493)12821)374028(18482)424337h7141719243346H151618H216H3(H4145)(H404243)t1924?33?38+m1s1
ZINC001547138500
ZINC001547138505
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