Vitas-M small molecule compound
methyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK952715
SMILES N#C/C(=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/C(=O)Nc1sc(c(c1C(=O)OC)C)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 C22H17N3O6S MW 451.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O6S/c1-12-13(2)32-21(19(12)22(27)30-3)24-20(26)15(11-23)10-17-7-8-18(31-17)14-5-4-6-16(9-14)25(28)29/h4-10H,1-3H3,(H,24,26)/b15-10+InChIKey
ULZLHBDBVCIMJU-XNTDXEJSSA-NSynonyms
468749-08-8(E)methyl2(2cyano3(5(3nitrophenyl)furan2yl)acrylamido)45dimethylthiophene3carboxylate
468749088
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)(N+)(=O)(O))C#N)C
InChI=1SC22H17N3O6Sc11213(2)3221(19(12)22(27)303)2420(26)15(1123)10177818(3117)1454616(914)25(28)29h410H13H3(H2426)b1510+
methyl2(((2E)2cyano3(5(3nitrophenyl)furan2yl)prop2enoyl)amino)45dimethylthiophene3carboxylate
METHYL2(((E)2CYANO3(5(3NITROPHENYL)FURAN2YL)PROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)2CYANO3(5(3NITROPHENYL)(2FURYL))PROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD02370955
N#CC(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))C(=O)Nc1sc(c(c1C(=O)OC)C)C
ZINC000002327420
ZINC02327420
ZINC2327420
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.