Vitas-M small molecule compound

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

Catalog ID
STK739772
SMILES CCOC(=O)c1c(scc1c1ccccc1)NC(=O)/C(=C/c1ccc(o1)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 C27H19N3O6S MW 513.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O6S/c1-2-35-27(32)24-22(17-7-4-3-5-8-17)16-37-26(24)29-25(31)19(15-28)14-21-11-12-23(36-21)18-9-6-10-20(13-18)30(33)34/h3-14,16H,2H2,1H3,(H,29,31)/b19-14+
InChIKey
WWQFSRDJRJTWEZ-XMHGGMMESA-N
Synonyms
327075-58-1
(E)ethyl2(2cyano3(5(3nitrophenyl)furan2yl)acrylamido)4phenylthiophene3carboxylate
327075581
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O))C#N
CCOC(=O)c1c(scc1c1ccccc1)NC(=O)C(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))C#N
ethyl2(((2E)2cyano3(5(3nitrophenyl)furan2yl)prop2enoyl)amino)4phenylthiophene3carboxylate
ETHYL2(((E)2CYANO3(5(3NITROPHENYL)FURAN2YL)PROP2ENOYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(5(3NITROPHENYL)(2FURYL))PROP2ENOYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC27H19N3O6Sc123527(32)2422(177435817)163726(24)2925(31)19(1528)1421111223(3621)18961020(1318)30(33)34h31416H2H21H3(H2931)b1914+
MFCD01945575
ZINC000001769408
ZINC01769408
ZINC1769408

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Available files

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