Vitas-M small molecule compound
(2E)-4-oxo-4-({3-[(1E)-1-{2-[(5-propylthiophen-3-yl)carbonyl]hydrazinylidene}ethyl]phenyl}amino)but-2-enoic acid
Catalog ID
STK465734
SMILES CCCc1scc(c1)C(=O)N/N=C(/c1cccc(c1)NC(=O)/C=C/C(=O)O)\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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-3-5-17-11-15(12-28-17)20(27)23-22-13(2)14-6-4-7-16(10-14)21-18(24)8-9-19(25)26/h4,6-12H,3,5H2,1-2H3,(H,21,24)(H,23,27)(H,25,26)/b9-8+,22-13+InChIKey
BFTGHWPNZXTOCL-UXWOPCDISA-NSynonyms
(2E)4oxo4((3((1E)1(2((5propylthiophen3yl)carbonyl)hydrazinylidene)ethyl)phenyl)amino)but2enoicacid
(E)4(3((E)CmethylN((5propylthiophene3carbonyl)amino)carbonimidoyl)anilino)4oxobut2enoicacid
CCCC1=CC(=CS1)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C=CC(=O)O
CCCc1scc(c1)C(=O)NN=C(c1cccc(c1)NC(=O)C=CC(=O)O)C
InChI=1SC20H21N3O4Sc135171115(122817)20(27)232213(2)1464716(1014)2118(24)8919(25)26h4612H35H212H3(H2124)(H2327)(H2526)b98+2213+
MFCD06759343
ZINC000017081695
ZINC98054867
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