Vitas-M small molecule compound
3-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Catalog ID
STL477706
SMILES [O-][N+](=O)c1cnn(c1)CSc1nnc2c(n1)[nH]c1c2cccc1
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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 C13H9N7O2S MW 327.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N7O2S/c21-20(22)8-5-14-19(6-8)7-23-13-16-12-11(17-18-13)9-3-1-2-4-10(9)15-12/h1-6H,7H2,(H,15,16,18)InChIKey
ADHVBMWGKYRMQL-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cnn(c1)CSc1nnc2c(n1)(nH)c1c2cccc1
3(((4nitro1Hpyrazol1yl)methyl)sulfanyl)5H(124)triazino(56b)indole
3((4nitropyrazol1yl)methylsulfanyl)5H(124)triazino(56b)indole
C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCN4C=C(C=N4)(N+)(=O)(O)
InChI=1SC13H9N7O2Sc2120(22)851419(68)72313161211(171813)9312410(9)1512h16H7H2(H151618)
MFCD30502753
ZINC000334160288
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