Vitas-M small molecule compound
4-bromo-2-(piperidin-1-ylcarbonothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Catalog ID
STL382861
SMILES Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C
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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 C20H18BrN3O6S MW 508.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O6S/c1-12-16(23(26)27)9-13(10-17(12)24(28)29)20(25)30-18-6-5-14(21)11-15(18)19(31)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3InChIKey
QAKYOXKYSJBVMO-UHFFFAOYSA-NSynonyms
(4BROMO2(PIPERIDINE1CARBOTHIOYL)PHENYL)4METHYL35DINITROBENZOATE
4bromo2(piperidin1ylcarbonothioyl)phenyl4methyl35dinitrobenzoate
4METHYL35DINITROBENZOICACID4BROMO2(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCCC3)(N+)(=O)(O)
InChI=1SC20H18BrN3O6Sc11216(23(26)27)913(1017(12)24(28)29)20(25)30186514(21)1115(18)19(31)227324822h56911H2478H21H3
MFCD01062306
ZINC000008763146
ZINC08763146
ZINC8763146
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