Vitas-M small molecule compound
(2E)-5-cyano-5-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-oxopent-2-enoic acid
Catalog ID
STK326202
SMILES N#C/C(=c\1/[nH]c2c([nH]1)cccc2)/C(=O)/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 C13H9N3O3 MW 255.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N3O3/c14-7-8(11(17)5-6-12(18)19)13-15-9-3-1-2-4-10(9)16-13/h1-6,15-16H,(H,18,19)/b6-5+InChIKey
CVRZPSXMIHERAI-AATRIKPKSA-NSynonyms
(2E)5cyano5(13dihydro2Hbenzimidazol2ylidene)4oxopent2enoicacid(2E)5CYANO5(3HYDROBENZIMIDAZOL2YLIDENE)4OXOPENT2ENOICACID
(E)5(1Hbenzo(d)imidazol2(3H)ylidene)5cyano4oxopent2enoicacid
(E)5CYANO5(13DIHYDROBENZIMIDAZOL2YLIDENE)4OXOPENT2ENOICACID
C1=CC=C2C(=C1)NC(=C(C#N)C(=O)C=CC(=O)O)N2
N#CC(=c1(nH)c2c((nH)1)cccc2)C(=O)C=CC(=O)O
Registry IDs
MFCD03490252ZINC000002207251
ZINC2207251
ZINC36517273
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