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Vitas-M small molecule compound

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

Catalog ID
STK959831
SMILES CC(OC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])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 C20H20N2O5S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O5S/c1-12(2)27-20(24)18-15-4-3-5-16(15)28-19(18)21-17(23)11-8-13-6-9-14(10-7-13)22(25)26/h6-12H,3-5H2,1-2H3,(H,21,23)/b11-8+
InChIKey
YCSYKAXXIALNOM-DHZHZOJOSA-N
Synonyms
444928-28-3
444928283
CC(C)OC(=O)C1=C(SC2=C1CCC2)NC(=O)C=CC3=CC=C(C=C3)(N+)(=O)(O)
CC(OC(=O)c1c(NC(=O)C=Cc2ccc(cc2)(N+)(=O)(O))sc2c1CCC2)C
InChI=1SC20H20N2O5Sc112(2)2720(24)181543516(15)2819(18)2117(23)118136914(10713)22(25)26h612H35H212H3(H2123)b118+
ISOPROPYL2((3(4NITROPHENYL)ACRYLOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD02372677
propan2yl2(((2E)3(4nitrophenyl)prop2enoyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
PROPAN2YL2(((E)3(4NITROPHENYL)PROP2ENOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ZINC000000667696
ZINC00667696
ZINC667696

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Available files

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