Vitas-M small molecule compound
2-(5-{(Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}furan-2-yl)benzoic acid
Catalog ID
STL381394
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1ccc(o1)c1ccccc1C(=O)O)/C#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 C20H15N5O4 MW 389.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N5O4/c21-10-12(18-16(11-22)19(23)25(24-18)7-8-26)9-13-5-6-17(29-13)14-3-1-2-4-15(14)20(27)28/h1-6,9,26H,7-8,23H2,(H,27,28)/b12-9+InChIKey
VJKYHFWVNCVWJA-FMIVXFBMSA-NSynonyms
2(5((Z)2(5amino4cyano1(2hydroxyethyl)1Hpyrazol3yl)2cyanoethenyl)furan2yl)benzoicacid
2(5((Z)2(5AMINO4CYANO1(2HYDROXYETHYL)PYRAZOL3YL)2CYANOETHENYL)FURAN2YL)BENZOICACID
C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C3=NN(C(=C3C#N)N)CCO)C(=O)O
InChI=1SC20H15N5O4c211012(1816(1122)19(23)25(2418)7826)9135617(2913)14312415(14)20(27)28h16926H7823H2(H2728)b129+
MFCD06623262
OCCn1nc(c(c1N)C#N)C(=Cc1ccc(o1)c1ccccc1C(=O)O)C#N
ZINC000005050405
ZINC5050405
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