Vitas-M small molecule compound
6-amino-3-methyl-4-(4-nitrothiophen-2-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK746449
SMILES N#CC1=C(N)Oc2c(C1c1scc(c1)[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 C12H9N5O3S MW 303.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9N5O3S/c1-5-9-10(8-2-6(4-21-8)17(18)19)7(3-13)11(14)20-12(9)16-15-5/h2,4,10H,14H2,1H3,(H,15,16)InChIKey
DWDNJJSWGXITJW-UHFFFAOYSA-NSynonyms
6amino3methyl4(4nitrothiophen2yl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO3METHYL4(4NITROTHIOPHEN2YL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=CS3)(N+)(=O)(O)
InChI=1SC12H9N5O3Sc15910(826(4218)17(18)19)7(313)11(14)2012(9)16155h2410H14H21H3(H1516)
MFCD00472830
N#CC1=C(N)Oc2c(C1c1scc(c1)(N+)(=O)(O))c(C)n(nH)2
ZINC000004010450
ZINC000004010451
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