Vitas-M small molecule compound
(2E)-4-{[(3E)-5-amino-1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-ylidene]amino}-4-oxobut-2-enoic acid
Catalog ID
STK563928
SMILES O=C(/N=c/1\nc(n([nH]1)c1ccccc1)N)/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 C12H11N5O3 MW 273.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N5O3/c13-11-15-12(14-9(18)6-7-10(19)20)16-17(11)8-4-2-1-3-5-8/h1-7H,(H,19,20)(H3,13,14,15,16,18)/b7-6+InChIKey
FMUFTIANTTYEBU-VOTSOKGWSA-NSynonyms
383900-37-6(2E)4(((3E)5amino1phenyl12dihydro3H124triazol3ylidene)amino)4oxobut2enoicacid
(E)4((5AMINO1PHENYL124TRIAZOL3YL)AMINO)4OXOBUT2ENOICACID
383900376
C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C=CC(=O)O)N
InChI=1SC12H11N5O3c13111512(149(18)6710(19)20)1617(11)8421358h17H(H1920)(H31314151618)b76+
MFCD03804761
O=C(N=c1nc(n((nH)1)c1ccccc1)N)C=CC(=O)O
ZINC000004871873
ZINC4871873
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