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-{1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylethyl}-3-[4-(methylsulfanyl)phenyl]propanamide
Catalog ID
STL551973
SMILES COCc1[nH]nc(n1)C(Cc1ccccc1)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 C38H39ClN4O8S MW 747.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H39ClN4O8S/c1-20-15-26(44)31(35(46)38(20)36(47)32-27(49-3)18-28(50-4)33(39)34(32)51-38)24(22-11-13-23(52-5)14-12-22)17-30(45)40-25(16-21-9-7-6-8-10-21)37-41-29(19-48-2)42-43-37/h6-14,18,20,24-25,46H,15-17,19H2,1-5H3,(H,40,45)(H,41,42,43)/t20-,InChIKey
QSVTZVZBOIDRLS-DPPHUKQZSA-NSynonyms
135640289
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(1(3(methoxymethyl)1H124triazol5yl)2phenylethyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(1(5(methoxymethyl)1~(H)124triazol3yl)2phenylethyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(1(5(METHOXYMETHYL)1H124TRIAZOL3YL)2PHENYLETHYL)3(4(METHYLSULFANYL)P
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(1(5(methoxymethyl)1H124triazol3yl)2phenylethyl)3(4(methylsulfanyl)phenyl)propanamide
COCc1n(nH)c(n1)C(Cc1ccccc1)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=1SC38H39ClN4O8Sc1201526(44)31(35(46)38(20)36(47)3227(493)1828(504)33(39)34(32)5138)24(22111323(525)141222)1730(45)4025(162197681021)374129(19482)424337h6141820242546H151719H215H3(H4045)(H414243)t2024?25?38+m1s1
ZINC001547138727
ZINC001547138730
Check stock
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