Vitas-M small molecule compound

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

Catalog ID
STK316100
SMILES CC(OC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)F)sc2c1CCC2)C

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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 C20H20FNO3S MW 373.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FNO3S/c1-12(2)25-20(24)18-15-4-3-5-16(15)26-19(18)22-17(23)11-8-13-6-9-14(21)10-7-13/h6-12H,3-5H2,1-2H3,(H,22,23)/b11-8+
InChIKey
KQCLKNROCRNTHL-DHZHZOJOSA-N
Synonyms
444935-98-2
444935982
CC(C)OC(=O)C1=C(SC2=C1CCC2)NC(=O)C=CC3=CC=C(C=C3)F
CC(OC(=O)c1c(NC(=O)C=Cc2ccc(cc2)F)sc2c1CCC2)C
InChI=1SC20H20FNO3Sc112(2)2520(24)181543516(15)2619(18)2217(23)118136914(21)10713h612H35H212H3(H2223)b118+
ISOPROPYL2((3(4FLUOROPHENYL)ACRYLOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD02606093
propan2yl2(((2E)3(4fluorophenyl)prop2enoyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
PROPAN2YL2(((E)3(4FLUOROPHENYL)PROP2ENOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ZINC000000679887
ZINC00679887
ZINC679887

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Available files

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