Vitas-M small molecule compound
(2E)-4-{[(2Z)-4-(4-chlorophenyl)-1,3-thiazol-2(3H)-ylidene]amino}-4-oxobut-2-enoic acid
Catalog ID
STL228149
SMILES O=C(/N=c/1\scc([nH]1)c1ccc(cc1)Cl)/C=C/C(=O)O
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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 C13H9ClN2O3S MW 308.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9ClN2O3S/c14-9-3-1-8(2-4-9)10-7-20-13(15-10)16-11(17)5-6-12(18)19/h1-7H,(H,18,19)(H,15,16,17)/b6-5+InChIKey
SICCKMPTWLIUBA-AATRIKPKSA-NSynonyms
(2E)4(((2Z)4(4chlorophenyl)13thiazol2(3H)ylidene)amino)4oxobut2enoicacid
(E)4((4(4CHLOROPHENYL)13THIAZOL2YL)AMINO)4OXOBUT2ENOICACID
C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C=CC(=O)O)Cl
InChI=1SC13H9ClN2O3Sc149318(249)1072013(1510)1611(17)5612(18)19h17H(H1819)(H151617)b65+
MFCD05022282
O=C(N=c1scc((nH)1)c1ccc(cc1)Cl)C=CC(=O)O
ZINC000002159080
ZINC2159080
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