Vitas-M small molecule compound
ethyl 2-{[(2E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino}-4-(4-fluorophenyl)thiophene-3-carboxylate
Catalog ID
STK952565
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)/C(=C/c1cccc(c1)[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 C23H16FN3O5S MW 465.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16FN3O5S/c1-2-32-23(29)20-19(15-6-8-17(24)9-7-15)13-33-22(20)26-21(28)16(12-25)10-14-4-3-5-18(11-14)27(30)31/h3-11,13H,2H2,1H3,(H,26,28)/b16-10+InChIKey
HHBXBPXWPLVSCP-MHWRWJLKSA-NSynonyms
(Z)ethyl2(2cyano3(3nitrophenyl)acrylamido)4(4fluorophenyl)thiophene3carboxylate
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C(=CC3=CC(=CC=C3)(N+)(=O)(O))C#N
CCOC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)C(=Cc1cccc(c1)(N+)(=O)(O))C#N
ethyl2(((2E)2cyano3(3nitrophenyl)prop2enoyl)amino)4(4fluorophenyl)thiophene3carboxylate
ETHYL2(((E)2CYANO3(3NITROPHENYL)PROP2ENOYL)AMINO)4(4FLUOROPHENYL)THIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(3NITROPHENYL)PROP2ENOYLAMINO)4(4FLUOROPHENYL)THIOPHENE3CARBOXYLATE
InChI=1SC23H16FN3O5Sc123223(29)2019(156817(24)9715)133322(20)2621(28)16(1225)101443518(1114)27(30)31h31113H2H21H3(H2628)b1610+
MFCD02353263
ZINC000026920705
ZINC26920705
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