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-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl]-3-[4-(methylsulfanyl)phenyl]propanamide
Catalog ID
STL551773
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1c(C)nc2c(c1=O)cc(c(c2)OC)OC
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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 C39H40ClN3O10S MW 778.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H40ClN3O10S/c1-19-14-26(44)32(36(46)39(19)37(47)33-29(51-5)18-30(52-6)34(40)35(33)53-39)23(21-8-10-22(54-7)11-9-21)16-31(45)41-12-13-43-20(2)42-25-17-28(50-4)27(49-3)15-24(25)38(43)48/h8-11,15,17-19,23,46H,12-14,16H2,1-7H3,(H,41,45)/t19-,23?,3InChIKey
VDLJOSXABLHEPP-HDQDKQGTSA-NSynonyms
135640119
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(67dimethoxy2methyl4oxoquinazolin3(4H)yl)ethyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(67dimethoxy2methyl4oxoquinazolin3yl)ethyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2(67DIMETHOXY2METHYL4OXOQUINAZOLIN3(4H)YL)ETHYL)3(4(METHYLSULFANYL)PH
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(67dimethoxy2methyl4oxoquinazolin3(4H)yl)ethyl)3(4(methylsulfanyl)phenyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1c(C)nc2c(c1=O)cc(c(c2)OC)OC
InChI=1SC39H40ClN3O10Sc1191426(44)32(36(46)39(19)37(47)3329(515)1830(526)34(40)35(33)5339)23(2181022(547)11921)1631(45)4112134320(2)42251728(504)27(493)1524(25)38(43)48h8111517192346H121416H217H3(H4145)t1923?39+m1s1
ZINC001547139596
ZINC001547139597
Check stock
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