Vitas-M small molecule compound
(2R,3'Z,6'R)-7-chloro-3'-({[3-(1,1-dioxido-1,2-thiazolidin-2-yl)phenyl]amino}methylidene)-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Catalog ID
STL550089
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C/Nc2cccc(c2)N2CCCS2(=O)=O)/C1=O)Cl
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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 C26H25ClN2O8S MW 561.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O8S/c1-14-10-18(30)17(13-28-15-6-4-7-16(11-15)29-8-5-9-38(29,33)34)24(31)26(14)25(32)21-19(35-2)12-20(36-3)22(27)23(21)37-26/h4,6-7,11-14,28H,5,8-10H2,1-3H3/b17-13-/t14-,26+/m1/s1InChIKey
SSGBODLFZUPJPM-RTXBUHOKSA-NSynonyms
(1R6RZ)7chloro3(((3(11dioxidoisothiazolidin2yl)phenyl)amino)methylene)46dimethoxy6methyl3Hspiro(benzofuran21cyclohexane)234trione
(2R3Z6R)7chloro3(((3(11dioxido12thiazolidin2yl)phenyl)amino)methylidene)46dimethoxy6methyl2H3H4Hspiro(1benzofuran21cyclohexane)234trione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=CNc2cccc(c2)N2CCCS2(=O)=O)C1=O)Cl
InChI=1SC26H25ClN2O8Sc1141018(30)17(13281564716(1115)2985938(2933)34)24(31)26(14)25(32)2119(352)1220(363)22(27)23(21)3726h467111428H5810H213H3b1713t1426+m1s1
ZINC000824567472
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