Vitas-M small molecule compound

ethyl 2-({(2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-4-(4-fluorophenyl)thiophene-3-carboxylate

Catalog ID
STK739786
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])/C#N

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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 C27H18FN3O6S MW 531.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18FN3O6S/c1-2-36-27(33)24-22(16-3-7-19(28)8-4-16)15-38-26(24)30-25(32)18(14-29)13-21-11-12-23(37-21)17-5-9-20(10-6-17)31(34)35/h3-13,15H,2H2,1H3,(H,30,32)/b18-13+
InChIKey
YGYGUTJLTNPRAW-QGOAFFKASA-N
Synonyms
327075-90-1
(E)ethyl2(2cyano3(5(4nitrophenyl)furan2yl)acrylamido)4(4fluorophenyl)thiophene3carboxylate
327075901
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)(N+)(=O)(O))C#N
CCOC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)C(=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))C#N
ethyl2(((2E)2cyano3(5(4nitrophenyl)furan2yl)prop2enoyl)amino)4(4fluorophenyl)thiophene3carboxylate
ETHYL2(((E)2CYANO3(5(4NITROPHENYL)FURAN2YL)PROP2ENOYL)AMINO)4(4FLUOROPHENYL)THIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(5(4NITROPHENYL)(2FURYL))PROP2ENOYLAMINO)4(4FLUOROPHENYL)THIOPHENE3CARBOXYLATE
InChI=1SC27H18FN3O6Sc123627(33)2422(163719(28)8416)153826(24)3025(32)18(1429)1321111223(3721)175920(10617)31(34)35h31315H2H21H3(H3032)b1813+
MFCD01947370
ZINC000001769558
ZINC01769558
ZINC1769558

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Available files

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