Vitas-M small molecule compound
methyl 2-({(2E)-3-[4-(benzyloxy)-3-methoxyphenyl]prop-2-enoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STL337204
SMILES COc1cc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)CCC3)ccc1OCc1ccccc1
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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 C26H25NO5S MW 463.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO5S/c1-30-21-15-17(11-13-20(21)32-16-18-7-4-3-5-8-18)12-14-23(28)27-25-24(26(29)31-2)19-9-6-10-22(19)33-25/h3-5,7-8,11-15H,6,9-10,16H2,1-2H3,(H,27,28)/b14-12+InChIKey
CRGCWMKYQOFISM-WYMLVPIESA-NSynonyms
433315-88-9(E)methyl2(3(4(benzyloxy)3methoxyphenyl)acrylamido)56dihydro4Hcyclopenta(b)thiophene3carboxylate
433315889
COC1=C(C=CC(=C1)C=CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)OCC4=CC=CC=C4
COc1cc(C=CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)ccc1OCc1ccccc1
InChI=1SC26H25NO5Sc130211517(111320(21)3216187435818)121423(28)272524(26(29)312)19961022(19)3325h35781115H691016H212H3(H2728)b1412+
methyl2(((2E)3(4(benzyloxy)3methoxyphenyl)prop2enoyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2(((E)3(3METHOXY4PHENYLMETHOXYPHENYL)PROP2ENOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2((2E)3(3METHOXY4(PHENYLMETHOXY)PHENYL)PROP2ENOYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
MFCD02960265
ZINC000001776789
ZINC01776789
ZINC1776789
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