Vitas-M small molecule compound

6-amino-4-(2-chloro-5-nitrophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Catalog ID
STK754111
SMILES N#CC1=C(N)Oc2c(C1c1cc(ccc1Cl)[N+](=O)[O-])c(C)n[nH]2

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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 C14H10ClN5O3 MW 331.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10ClN5O3/c1-6-11-12(8-4-7(20(21)22)2-3-10(8)15)9(5-16)13(17)23-14(11)19-18-6/h2-4,12H,17H2,1H3,(H,18,19)
InChIKey
GXBPKXBRSBNOOA-UHFFFAOYSA-N
Synonyms
311333-53-6
311333536
6amino4(2chloro5nitrophenyl)3methyl14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(2CHLORO5NITROPHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(2CHLORO5NITROPHENYL)3METHYL4HPYRANO(32D)PYRAZOLE5CARBONITRILE
CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC(=C3)(N+)(=O)(O))Cl
InChI=1SC14H10ClN5O3c161112(847(20(21)22)2310(8)15)9(516)13(17)2314(11)19186h2412H17H21H3(H1819)
MFCD00825141
N#CC1=C(N)Oc2c(C1c1cc(ccc1Cl)(N+)(=O)(O))c(C)n(nH)2
ZINC000005125958
ZINC000005125959

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Available files

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