Vitas-M small molecule compound
6-amino-4-(4-chloro-3-nitrophenyl)-3-(4-ethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STL071189
SMILES CCOc1ccc(cc1)c1n[nH]c2c1C(c1ccc(c(c1)[N+](=O)[O-])Cl)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 C21H16ClN5O4 MW 437.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN5O4/c1-2-30-13-6-3-11(4-7-13)19-18-17(12-5-8-15(22)16(9-12)27(28)29)14(10-23)20(24)31-21(18)26-25-19/h3-9,17H,2,24H2,1H3,(H,25,26)InChIKey
UJYZSHHKWRAIRU-UHFFFAOYSA-NSynonyms
847916-25-06amino4(4chloro3nitrophenyl)3(4ethoxyphenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(4CHLORO3NITROPHENYL)3(4ETHOXYPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
847916250
CCOC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
CCOc1ccc(cc1)c1n(nH)c2c1C(c1ccc(c(c1)(N+)(=O)(O))Cl)C(=C(O2)N)C#N
InChI=1SC21H16ClN5O4c1230136311(4713)191817(125815(22)16(912)27(28)29)14(1023)20(24)3121(18)262519h3917H224H21H3(H2526)
MFCD04186137
ZINC000017209552
ZINC000017209554
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