Vitas-M small molecule compound
3-(piperidin-1-ylcarbonothioyl)phenyl 2,4-dinitrobenzoate
Catalog ID
STL382837
SMILES O=C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Oc1cccc(c1)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 C19H17N3O6S MW 415.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O6S/c23-19(16-8-7-14(21(24)25)12-17(16)22(26)27)28-15-6-4-5-13(11-15)18(29)20-9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2InChIKey
OTRQQIYZUDERCW-UHFFFAOYSA-NSynonyms
(3(PIPERIDINE1CARBOTHIOYL)PHENYL)24DINITROBENZOATE
24DINITROBENZOICACID3(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
3(piperidin1ylcarbonothioyl)phenyl24dinitrobenzoate
3(PIPERIDYLTHIOXOMETHYL)PHENYL24DINITROBENZOATE
C1CCN(CC1)C(=S)C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H17N3O6Sc2319(168714(21(24)25)1217(16)22(26)27)281564513(1115)18(29)2092131020h481112H13910H2
MFCD01062266
O=C(c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))Oc1cccc(c1)C(=S)N1CCCCC1
ZINC000004725837
ZINC04725837
ZINC4725837
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