Vitas-M small molecule compound
2,6-dimethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Catalog ID
STL382834
SMILES COc1cc(cc(c1OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)OC)C(=S)N1CCCCC1
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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 C22H23N3O8S MW 489.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O8S/c1-13-16(24(27)28)9-15(10-17(13)25(29)30)22(26)33-20-18(31-2)11-14(12-19(20)32-3)21(34)23-7-5-4-6-8-23/h9-12H,4-8H2,1-3H3InChIKey
DPQJGCXDMOUUHE-UHFFFAOYSA-NSynonyms
(26DIMETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)4METHYL35DINITROBENZOATE
26dimethoxy4(piperidin1ylcarbonothioyl)phenyl4methyl35dinitrobenzoate
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCCCC3)OC)(N+)(=O)(O)
COc1cc(cc(c1OC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)OC)C(=S)N1CCCCC1
InChI=1SC22H23N3O8Sc11316(24(27)28)915(1017(13)25(29)30)22(26)332018(312)1114(1219(20)323)21(34)237546823h912H48H213H3
MFCD01062192
ZINC000013590261
ZINC13590261
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