Vitas-M small molecule compound
2-methoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Catalog ID
STL382874
SMILES COc1cc(ccc1OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)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 C21H21N3O7S MW 459.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O7S/c1-13-16(23(26)27)10-15(11-17(13)24(28)29)21(25)31-18-7-6-14(12-19(18)30-2)20(32)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3InChIKey
BKINFCBNJOYSMB-UHFFFAOYSA-NSynonyms
(2METHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)4METHYL35DINITROBENZOATE
2methoxy4(piperidin1ylcarbonothioyl)phenyl4methyl35dinitrobenzoate
2METHOXY4(PIPERIDYLTHIOXOMETHYL)PHENYL4METHYL35DINITROBENZOATE
4METHYL35DINITROBENZOICACID2METHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)OC2=C(C=C(C=C2)C(=S)N3CCCCC3)OC)(N+)(=O)(O)
COc1cc(ccc1OC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)C(=S)N1CCCCC1
InChI=1SC21H21N3O7Sc11316(23(26)27)1015(1117(13)24(28)29)21(25)31187614(1219(18)302)20(32)228435922h671012H3589H212H3
MFCD01062211
ZINC000008989848
ZINC08989848
ZINC8989848
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