Vitas-M small molecule compound
5-{3-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid
Catalog ID
STK138746
SMILES N#C/C(=C\c1cc(n(c1C)c1cc(cc(c1)C(=O)O)C(=O)O)C)/C(=O)NC
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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 C19H17N3O5 MW 367.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O5/c1-10-4-12(5-15(9-20)17(23)21-3)11(2)22(10)16-7-13(18(24)25)6-14(8-16)19(26)27/h4-8H,1-3H3,(H,21,23)(H,24,25)(H,26,27)/b15-5+InChIKey
BBXCZWJAFWNYRM-PJQLUOCWSA-NSynonyms
5(3((1E)2CYANO3(METHYLAMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZENE13DICARBOXYLICACID
5(3((E)2CYANO3(METHYLAMINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZENE13DICARBOXYLICACID
CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C(C#N)C(=O)NC
InChI=1SC19H17N3O5c110412(515(920)17(23)213)11(2)22(10)16713(18(24)25)614(816)19(26)27h48H13H3(H2123)(H2425)(H2627)b155+
MFCD08671178
N#CC(=Cc1cc(n(c1C)c1cc(cc(c1)C(=O)O)C(=O)O)C)C(=O)NC
ZINC000004678192
ZINC4678192
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