Vitas-M small molecule compound
3,3'-disulfanediylbis(6-benzyl-8-nitro-2H-chromen-2-one)
Catalog ID
STL415734
SMILES O=c1oc2c(cc1SSc1cc3cc(Cc4ccccc4)cc(c3oc1=O)[N+](=O)[O-])cc(cc2[N+](=O)[O-])Cc1ccccc1
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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 C32H20N2O8S2 MW 624.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H20N2O8S2/c35-31-27(17-23-13-21(11-19-7-3-1-4-8-19)15-25(33(37)38)29(23)41-31)43-44-28-18-24-14-22(12-20-9-5-2-6-10-20)16-26(34(39)40)30(24)42-32(28)36/h1-10,13-18H,11-12H2InChIKey
VINACOMIUUIOOP-UHFFFAOYSA-NSynonyms
33disulfanediylbis(6benzyl8nitro2Hchromen2one)
6benzyl3((6benzyl8nitro2oxochromen3yl)disulfanyl)8nitrochromen2one
C1=CC=C(C=C1)CC2=CC(=C3C(=C2)C=C(C(=O)O3)SSC4=CC5=CC(=CC(=C5OC4=O)(N+)(=O)(O))CC6=CC=CC=C6)(N+)(=O)(O)
InChI=1SC32H20N2O8S2c353127(17231321(11197314819)1525(33(37)38)29(23)4131)43442818241422(122095261020)1626(34(39)40)30(24)4232(28)36h1101318H1112H2
MFCD09476366
O=c1oc2c(cc1SSc1cc3cc(Cc4ccccc4)cc(c3oc1=O)(N+)(=O)(O))cc(cc2(N+)(=O)(O))Cc1ccccc1
ZINC000150389223
ZINC150389223
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