Vitas-M small molecule compound
(2E)-4-{[5-(butanoylamino)-2-chlorophenyl]amino}-4-oxobut-2-enoic acid
Catalog ID
STL067397
SMILES CCCC(=O)Nc1ccc(c(c1)NC(=O)/C=C/C(=O)O)Cl
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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 C14H15ClN2O4 MW 310.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15ClN2O4/c1-2-3-12(18)16-9-4-5-10(15)11(8-9)17-13(19)6-7-14(20)21/h4-8H,2-3H2,1H3,(H,16,18)(H,17,19)(H,20,21)/b7-6+InChIKey
XKQQOMBALSFWCE-VOTSOKGWSA-NSynonyms
940106-84-3(2E)3((5BUTANAMIDO2CHLOROPHENYL)CARBAMOYL)PROP2ENOICACID
(2E)3(N(5(BUTANOYLAMINO)2CHLOROPHENYL)CARBAMOYL)PROP2ENOICACID
(2E)4((5(butanoylamino)2chlorophenyl)amino)4oxobut2enoicacid
(E)4(5(butanoylamino)2chloroanilino)4oxobut2enoicacid
(E)4(5(BUTYRYLAMINO)2CHLOROANILINO)4OXO2BUTENOICACID
4((5(BUTYRYLAMINO)2CHLOROPHENYL)AMINO)4OXO2BUTENOICACID
940106843
CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C=CC(=O)O
CCCC(=O)Nc1ccc(c(c1)NC(=O)C=CC(=O)O)Cl
InChI=1SC14H15ClN2O4c12312(18)1694510(15)11(89)1713(19)6714(20)21h48H23H21H3(H1618)(H1719)(H2021)b76+
MFCD08725688
ZINC000010287527
ZINC10287527
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