Vitas-M small molecule compound
6-amino-3-(4-ethoxy-3-methoxyphenyl)-4-(3-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STL042661
SMILES CCOc1ccc(cc1OC)c1[nH]nc2c1C(c1cccc(c1)O)C(=C(O2)N)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 C22H20N4O4 MW 404.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4/c1-3-29-16-8-7-13(10-17(16)28-2)20-19-18(12-5-4-6-14(27)9-12)15(11-23)21(24)30-22(19)26-25-20/h4-10,18,27H,3,24H2,1-2H3,(H,25,26)InChIKey
DOIMVZMLRBALIV-UHFFFAOYSA-NSynonyms
850750-93-56amino3(4ethoxy3methoxyphenyl)4(3hydroxyphenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6amino3(4ethoxy3methoxyphenyl)4(3hydroxyphenyl)24dihydropyrano(23c)pyrazole5carbonitrile
850750935
CCOC1=C(C=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=CC=C4)O)OC
CCOc1ccc(cc1OC)c1(nH)nc2c1C(c1cccc(c1)O)C(=C(O2)N)C#N
CCOc1ccc(cc1OC)c1n(nH)c2c1C(c1cccc(c1)O)C(=C(O2)N)C#N
InChI=1SC22H20N4O4c1329168713(1017(16)282)201918(1254614(27)912)15(1123)21(24)3022(19)262520h4101827H324H212H3(H2526)
MFCD05735498
ZINC000005457463
ZINC000005457468
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