Vitas-M small molecule compound
2-{[(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}-N-(1,3-thiazol-2-yl)benzenesulfonamide
Catalog ID
STL550071
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccccc1S(=O)(=O)Nc1nccs1)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 C25H22ClN3O7S2 MW 576.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O7S2/c1-13-10-14(28-15-6-4-5-7-18(15)38(32,33)29-24-27-8-9-37-24)11-19(30)25(13)23(31)20-16(34-2)12-17(35-3)21(26)22(20)36-25/h4-9,11-13,28H,10H2,1-3H3,(H,27,29)/t13-,25+/m1/s1InChIKey
NYNWNJUUWRTDIG-SHZVTRLKSA-NSynonyms
127252775
2(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)N(thiazol2yl)benzenesulfonamide
2(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)~(N)(13thiazol2yl)benzenesulfonamide
2(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)N(13thiazol2yl)benzenesulfonamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccccc1S(=O)(=O)Nc1nccs1)Cl
InChI=1SC25H22ClN3O7S2c1131014(2815645718(15)38(3233)292427893724)1119(30)25(13)23(31)2016(342)1217(353)21(26)22(20)3625h49111328H10H213H3(H2729)t1325+m1s1
ZINC000604404996
ZINC604404996
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