Vitas-M small molecule compound
3-(piperidin-1-ylcarbonothioyl)phenyl 3-nitrobenzoate
Catalog ID
STL382879
SMILES S=C(c1cccc(c1)OC(=O)c1cccc(c1)[N+](=O)[O-])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 C19H18N2O4S MW 370.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O4S/c22-19(15-7-4-8-16(12-15)21(23)24)25-17-9-5-6-14(13-17)18(26)20-10-2-1-3-11-20/h4-9,12-13H,1-3,10-11H2InChIKey
WQJUJKOGOSLTEZ-UHFFFAOYSA-NSynonyms
(3(piperidine1carbothioyl)phenyl)3nitrobenzoate
3(piperidin1ylcarbonothioyl)phenyl3nitrobenzoate
3NITROBENZOICACID3(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
C1CCN(CC1)C(=S)C2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC19H18N2O4Sc2219(1574816(1215)21(23)24)251795614(1317)18(26)20102131120h491213H131011H2
MFCD01062264
S=C(c1cccc(c1)OC(=O)c1cccc(c1)(N+)(=O)(O))N1CCCCC1
ZINC000000885687
ZINC00885687
ZINC885687
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