Vitas-M small molecule compound
6-amino-4-(3-nitrophenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STL052998
SMILES CCCOc1ccc(cc1)c1[nH]nc2c1C(c1cccc(c1)[N+](=O)[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 C22H19N5O4 MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O4/c1-2-10-30-16-8-6-13(7-9-16)20-19-18(14-4-3-5-15(11-14)27(28)29)17(12-23)21(24)31-22(19)26-25-20/h3-9,11,18H,2,10,24H2,1H3,(H,25,26)InChIKey
CXDGDMRUCOTCAS-UHFFFAOYSA-NSynonyms
877786-17-96amino4(3nitrophenyl)3(4propoxyphenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6amino4(3nitrophenyl)3(4propoxyphenyl)24dihydropyrano(23c)pyrazole5carbonitrile
877786179
CCCOC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=CC=C4)(N+)(=O)(O)
CCCOc1ccc(cc1)c1(nH)nc2c1C(c1cccc(c1)(N+)(=O)(O))C(=C(O2)N)C#N
CCCOc1ccc(cc1)c1n(nH)c2c1C(c1cccc(c1)(N+)(=O)(O))C(=C(O2)N)C#N
InChI=1SC22H19N5O4c121030168613(7916)201918(1443515(1114)27(28)29)17(1223)21(24)3122(19)262520h391118H21024H21H3(H2526)
MFCD05737079
ZINC000009328571
ZINC000009356904
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