Vitas-M small molecule compound
3,3'-[1,3-benzodioxole-5,6-diylbis(methanediylsulfanediyl)]bis[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole]
Catalog ID
STK664884
SMILES Cn1c(SCc2cc3OCOc3cc2CSc2nnc(n2C)c2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(cc1)[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 C27H22N8O6S2 MW 618.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N8O6S2/c1-32-24(16-3-7-20(8-4-16)34(36)37)28-30-26(32)42-13-18-11-22-23(41-15-40-22)12-19(18)14-43-27-31-29-25(33(27)2)17-5-9-21(10-6-17)35(38)39/h3-12H,13-15H2,1-2H3InChIKey
IXXJUHJJBNXCFY-UHFFFAOYSA-NSynonyms
33(13benzodioxole56diylbis(methanediylsulfanediyl))bis(4methyl5(4nitrophenyl)4H124triazole)
4methyl3((6((4methyl5(4nitrophenyl)124triazol3yl)sulfanylmethyl)13benzodioxol5yl)methylsulfanyl)5(4nitrophenyl)124triazole
CN1C(=NN=C1SCC2=CC3=C(C=C2CSC4=NN=C(N4C)C5=CC=C(C=C5)(N+)(=O)(O))OCO3)C6=CC=C(C=C6)(N+)(=O)(O)
Cn1c(SCc2cc3OCOc3cc2CSc2nnc(n2C)c2ccc(cc2)(N+)(=O)(O))nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H22N8O6S2c13224(163720(8416)34(36)37)283026(32)421318112223(41154022)1219(18)144327312925(33(27)2)175921(10617)35(38)39h312H1315H212H3
MFCD08582963
ZINC000100233929
ZINC100233929
Check stock
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Check stock on Vitas-MAvailable files
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