Vitas-M small molecule compound
4-(3-{(1E)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid
Catalog ID
STK185160
SMILES COc1ccc(cc1)NC(=O)/C(=C/c1cc(n(c1C)c1ccc(cc1C)C(=O)O)C)/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 C25H23N3O4 MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4/c1-15-11-18(25(30)31)5-10-23(15)28-16(2)12-19(17(28)3)13-20(14-26)24(29)27-21-6-8-22(32-4)9-7-21/h5-13H,1-4H3,(H,27,29)(H,30,31)/b20-13+InChIKey
WOSWRNODWNLKHH-DEDYPNTBSA-NSynonyms
357968-56-0357968560
4(3((1E)2CYANO3((4METHOXYPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)3METHYLBENZOICACID
4(3((E)2CYANO3(4METHOXYANILINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)3METHYLBENZOICACID
CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)OC
COc1ccc(cc1)NC(=O)C(=Cc1cc(n(c1C)c1ccc(cc1C)C(=O)O)C)C#N
InChI=1SC25H23N3O4c1151118(25(30)31)51023(15)2816(2)1219(17(28)3)1320(1426)24(29)27216822(324)9721h513H14H3(H2729)(H3031)b2013+
MFCD02611950
ZINC000001082498
ZINC1082498
Check stock
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Check stock on Vitas-MAvailable files
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