Vitas-M small molecule compound
3-[(7-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
Catalog ID
STK777753
SMILES [O-][N+](=O)c1cc(Sc2nnc3c(n2)n(CCc2ccccc2)c2c3cccc2)cc2c1nsn2
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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 C23H15N7O2S2 MW 485.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15N7O2S2/c31-30(32)19-13-15(12-17-21(19)28-34-27-17)33-23-24-22-20(25-26-23)16-8-4-5-9-18(16)29(22)11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2InChIKey
WFJPMPNYOVTIKV-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(Sc2nnc3c(n2)n(CCc2ccccc2)c2c3cccc2)cc2c1nsn2
3((7nitro213benzothiadiazol5yl)sulfanyl)5(2phenylethyl)5H(124)triazino(56b)indole
4nitro6((5(2phenylethyl)(124)triazino(56b)indol3yl)sulfanyl)213benzothiadiazole
4NITRO6((5PHENETHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)213BENZOTHIADIAZOLE
C1=CC=C(C=C1)CCN2C3=CC=CC=C3C4=C2N=C(N=N4)SC5=CC6=NSN=C6C(=C5)(N+)(=O)(O)
InChI=1SC23H15N7O2S2c3130(32)191315(121721(19)28342717)3323242220(252623)16845918(16)29(22)1110146213714h191213H1011H2
MFCD05854925
ZINC000012376360
ZINC12376360
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