Vitas-M small molecule compound
2,6-dimethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 2,4-dinitrobenzoate
Catalog ID
STL382877
SMILES COc1cc(cc(c1OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])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 C21H21N3O8S MW 475.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O8S/c1-30-17-10-13(20(33)22-8-4-3-5-9-22)11-18(31-2)19(17)32-21(25)15-7-6-14(23(26)27)12-16(15)24(28)29/h6-7,10-12H,3-5,8-9H2,1-2H3InChIKey
XWTSMLHYVFUCIF-UHFFFAOYSA-NSynonyms
(26DIMETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)24DINITROBENZOATE
26dimethoxy4(piperidin1ylcarbonothioyl)phenyl24dinitrobenzoate
COC1=CC(=CC(=C1OC(=O)C2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))OC)C(=S)N3CCCCC3
COc1cc(cc(c1OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))OC)C(=S)N1CCCCC1
InChI=1SC21H21N3O8Sc130171013(20(33)228435922)1118(312)19(17)3221(25)157614(23(26)27)1216(15)24(28)29h671012H3589H212H3
MFCD01062190
ZINC000006906072
ZINC06906072
ZINC6906072
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