Vitas-M small molecule compound
ethyl 2-[({4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]phenyl}carbonyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Catalog ID
STK835735
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C[C@@H]3C=C2)sc2c1CC(C)(C)OC2
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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 C28H28N2O6S MW 520.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O6S/c1-4-35-27(34)22-18-12-28(2,3)36-13-19(18)37-24(22)29-23(31)14-7-9-17(10-8-14)30-25(32)20-15-5-6-16(11-15)21(20)26(30)33/h5-10,15-16,20-21H,4,11-13H2,1-3H3,(H,29,31)/t15-,16+,20+,21-InChIKey
OMVOMOYPMWWMBY-IFCLKOLQSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3=CC=C(C=C3)N4C(=O)C5C6CC(C5C4=O)C=C6
CCOC(=O)c1c(NC(=O)c2ccc(cc2)N2C(=O)(C@@H)3(C@H)(C2=O)(C@@H)2C(C@H)3C=C2)sc2c1CC(C)(C)OC2
CCOC(=O)c1c(NC(=O)c2ccc(cc2)N2C(=O)(C@@H)3(C@H)(C2=O)(C@H)2C(C@@H)3C=C2)sc2c1CC(C)(C)OC2
ethyl2(((4((3aR4R7S7aS)13dioxo133a477ahexahydro2H47methanoisoindol2yl)phenyl)carbonyl)amino)55dimethyl47dihydro5Hthieno(23c)pyran3carboxylate
ethyl2(4((3aR4R7S7aS)13dioxo3a477atetrahydro1H47methanoisoindol2(3H)yl)benzamido)55dimethyl57dihydro4Hthieno(23c)pyran3carboxylate
InChI=1SC28H28N2O6Sc143527(34)22181228(23)361319(18)3724(22)2923(31)147917(10814)3025(32)20155616(1115)21(20)26(30)33h51015162021H41113H213H3(H2931)t1516+2021+
MFCD02998086
ZINC000016034886
ZINC02307517
ZINC2307517
Check stock
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Check stock on Vitas-MAvailable files
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