Vitas-M small molecule compound
6-amino-4-(4-chloro-3-nitrophenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STL052674
SMILES CCCOc1ccc(cc1)c1[nH]nc2c1C(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 C22H18ClN5O4 MW 451.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN5O4/c1-2-9-31-14-6-3-12(4-7-14)20-19-18(13-5-8-16(23)17(10-13)28(29)30)15(11-24)21(25)32-22(19)27-26-20/h3-8,10,18H,2,9,25H2,1H3,(H,26,27)InChIKey
MYIIOMAFBHBORD-UHFFFAOYSA-NSynonyms
877622-86-16amino4(4chloro3nitrophenyl)3(4propoxyphenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6amino4(4chloro3nitrophenyl)3(4propoxyphenyl)24dihydropyrano(23c)pyrazole5carbonitrile
877622861
CCCOC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
CCCOc1ccc(cc1)c1(nH)nc2c1C(c1ccc(c(c1)(N+)(=O)(O))Cl)C(=C(O2)N)C#N
CCCOc1ccc(cc1)c1n(nH)c2c1C(c1ccc(c(c1)(N+)(=O)(O))Cl)C(=C(O2)N)C#N
InChI=1SC22H18ClN5O4c12931146312(4714)201918(135816(23)17(1013)28(29)30)15(1124)21(25)3222(19)272620h381018H2925H21H3(H2627)
MFCD05729132
ZINC000009359587
ZINC000009359588
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