Vitas-M small molecule compound
3-{5-[(Z)-2-(3-amino-4-cyano-1H-pyrazol-5-yl)-2-cyanoethenyl]furan-2-yl}benzoic acid
Catalog ID
STL507380
SMILES N#C/C(=C\c1ccc(o1)c1cccc(c1)C(=O)O)/c1[nH]nc(c1C#N)N
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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 C18H11N5O3 MW 345.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11N5O3/c19-8-12(16-14(9-20)17(21)23-22-16)7-13-4-5-15(26-13)10-2-1-3-11(6-10)18(24)25/h1-7H,(H,24,25)(H3,21,22,23)/b12-7+InChIKey
NGCNAEQRBKQKPW-KPKJPENVSA-NSynonyms
132452262
3(5((~(Z))2(3amino4cyano1~(H)pyrazol5yl)2cyanoethenyl)furan2yl)benzoicacid
3(5((Z)2(3amino4cyano1Hpyrazol5yl)2cyanoethenyl)furan2yl)benzoicacid
InChI=1SC18H11N5O3c19812(1614(920)17(21)232216)7134515(2613)1021311(610)18(24)25h17H(H2425)(H3212223)b127+
MFCD31615094
ZINC001505840665
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