Vitas-M small molecule compound

ethyl 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STL296151
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(c(c2)OC)OC)sc2c1CCC2

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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 C21H23NO5S MW 401.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5S/c1-4-27-21(24)19-14-6-5-7-17(14)28-20(19)22-18(23)11-9-13-8-10-15(25-2)16(12-13)26-3/h8-12H,4-7H2,1-3H3,(H,22,23)/b11-9+
InChIKey
GLAVJFPGOHHYCN-PKNBQFBNSA-N
Synonyms

(Z)ethyl2(3(34dimethoxyphenyl)acrylamido)56dihydro4Hcyclopenta(b)thiophene3carboxylate
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C=CC3=CC(=C(C=C3)OC)OC
CCOC(=O)c1c(NC(=O)C=Cc2ccc(c(c2)OC)OC)sc2c1CCC2
ethyl2(((2E)3(34dimethoxyphenyl)prop2enoyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2(((E)3(34DIMETHOXYPHENYL)PROP2ENOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ETHYL2((2E)3(34DIMETHOXYPHENYL)PROP2ENOYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
InChI=1SC21H23NO5Sc142721(24)191465717(14)2820(19)2218(23)1191381015(252)16(1213)263h812H47H213H3(H2223)b119+
MFCD01071537
ZINC000000940039
ZINC00940039
ZINC940039

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.