Vitas-M small molecule compound
3-{[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]amino}-4-methoxy-N-(1,3-thiazol-2-yl)benzamide
Catalog ID
STL550999
SMILES COc1ccc(cc1NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C(=O)Nc1nccs1
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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 C27H24ClN3O7S MW 570.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN3O7S/c1-13-9-15(30-16-10-14(5-6-17(16)35-2)25(34)31-26-29-7-8-39-26)11-20(32)27(13)24(33)21-18(36-3)12-19(37-4)22(28)23(21)38-27/h5-8,10-13,30H,9H2,1-4H3,(H,29,31,34)/t13-,27+/m1/s1InChIKey
XWOXFEPIYFTMQL-QWVSSGJLSA-NSynonyms
127253510
3(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)4methoxyN(thiazol2yl)benzamide
3(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)4methoxy~(N)(13thiazol2yl)benzamide
3(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)4methoxyN(13thiazol2yl)benzamide
COc1ccc(cc1NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C(=O)Nc1nccs1
InChI=1SC27H24ClN3O7Sc113915(30161014(5617(16)352)25(34)312629783926)1120(32)27(13)24(33)2118(363)1219(374)22(28)23(21)3827h58101330H9H214H3(H293134)t1327+m1s1
ZINC000604405241
ZINC604405241
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