Vitas-M small molecule compound
2-(piperidin-1-ylcarbonothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Catalog ID
STK758454
SMILES S=C(c1ccccc1OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)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 C20H19N3O6S MW 429.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O6S/c1-13-16(22(25)26)11-14(12-17(13)23(27)28)20(24)29-18-8-4-3-7-15(18)19(30)21-9-5-2-6-10-21/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3InChIKey
NRUKEWSKFUJPRE-UHFFFAOYSA-NSynonyms
(2(PIPERIDINE1CARBOTHIOYL)PHENYL)4METHYL35DINITROBENZOATE
2(piperidin1ylcarbonothioyl)phenyl4methyl35dinitrobenzoate
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)OC2=CC=CC=C2C(=S)N3CCCCC3)(N+)(=O)(O)
InChI=1SC20H19N3O6Sc11316(22(25)26)1114(1217(13)23(27)28)20(24)2918843715(18)19(30)2195261021h34781112H256910H21H3
MFCD01062287
S=C(c1ccccc1OC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)N1CCCCC1
ZINC000003666649
ZINC03666649
ZINC3666649
Check stock
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