Vitas-M small molecule compound
methyl 4-[6-amino-5-cyano-3-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Catalog ID
STK996395
SMILES COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1c(n[nH]2)c1ccc(cc1)C)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 C22H18N4O3 MW 386.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O3/c1-12-3-5-14(6-4-12)19-18-17(13-7-9-15(10-8-13)22(27)28-2)16(11-23)20(24)29-21(18)26-25-19/h3-10,17H,24H2,1-2H3,(H,25,26)InChIKey
QZTJQZFBMCACPT-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1c(n(nH)2)c1ccc(cc1)C)C#N
InChI=1SC22H18N4O3c1123514(6412)191817(137915(10813)22(27)282)16(1123)20(24)2921(18)262519h31017H24H212H3(H2526)
methyl4(6amino5cyano3(4methylphenyl)14dihydropyrano(23c)pyrazol4yl)benzoate
methyl4(6amino5cyano3(4methylphenyl)24dihydropyrano(23c)pyrazol4yl)benzoate
MFCD02946882
ZINC000005646498
ZINC000005646500
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