Vitas-M small molecule compound
5-(3-{(1E)-2-cyano-3-[(3-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
Catalog ID
STK179112
SMILES COc1cccc(c1)NC(=O)/C(=C/c1cc(n(c1C)c1cc(cc(c1)C(=O)O)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 C25H21N3O6 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6/c1-14-7-16(8-19(13-26)23(29)27-20-5-4-6-22(12-20)34-3)15(2)28(14)21-10-17(24(30)31)9-18(11-21)25(32)33/h4-12H,1-3H3,(H,27,29)(H,30,31)(H,32,33)/b19-8+InChIKey
KHAZNSNAYQYKTH-UFWORHAWSA-NSynonyms
593273-43-95(3((1E)2CYANO3((3METHOXYPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZENE13DICARBOXYLICACID
5(3((E)2CYANO3(3METHOXYANILINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZENE13DICARBOXYLICACID
593273439
CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C(C#N)C(=O)NC3=CC(=CC=C3)OC
COc1cccc(c1)NC(=O)C(=Cc1cc(n(c1C)c1cc(cc(c1)C(=O)O)C(=O)O)C)C#N
InChI=1SC25H21N3O6c114716(819(1326)23(29)272054622(1220)343)15(2)28(14)211017(24(30)31)918(1121)25(32)33h412H13H3(H2729)(H3031)(H3233)b198+
MFCD04087256
ZINC000009262736
ZINC9262736
Check stock
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