Vitas-M small molecule compound

6-amino-4-(2-chloro-6-nitrophenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Catalog ID
STL055907
SMILES CCCOc1ccc(cc1)c1[nH]nc2c1C(C(=C(O2)N)C#N)c1c(Cl)cccc1[N+](=O)[O-]

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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/c1-2-10-31-13-8-6-12(7-9-13)20-19-17(14(11-24)21(25)32-22(19)27-26-20)18-15(23)4-3-5-16(18)28(29)30/h3-9,17H,2,10,25H2,1H3,(H,26,27)
InChIKey
PRBGXDCWYFBWCW-UHFFFAOYSA-N
Synonyms
877781-85-6
6amino4(2chloro6nitrophenyl)3(4propoxyphenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6amino4(2chloro6nitrophenyl)3(4propoxyphenyl)24dihydropyrano(23c)pyrazole5carbonitrile
877781856
CCCOC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC=C4Cl)(N+)(=O)(O)
CCCOc1ccc(cc1)c1(nH)nc2c1C(C(=C(O2)N)C#N)c1c(Cl)cccc1(N+)(=O)(O)
CCCOc1ccc(cc1)c1n(nH)c2c1C(C(=C(O2)N)C#N)c1c(Cl)cccc1(N+)(=O)(O)
InChI=1SC22H18ClN5O4c121031138612(7913)201917(14(1124)21(25)3222(19)272620)1815(23)43516(18)28(29)30h3917H21025H21H3(H2627)
MFCD05734461
ZINC000009360834
ZINC000009360836

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Available files

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