Vitas-M small molecule compound
2-ethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 2,4-dinitrobenzoate
Catalog ID
STL382846
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])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/c1-2-30-19-12-14(20(32)22-10-4-3-5-11-22)6-9-18(19)31-21(25)16-8-7-15(23(26)27)13-17(16)24(28)29/h6-9,12-13H,2-5,10-11H2,1H3InChIKey
AIGNYHZHYMVBDN-UHFFFAOYSA-NSynonyms
(2ETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)24DINITROBENZOATE
24DINITROBENZOICACID2ETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
2ethoxy4(piperidin1ylcarbonothioyl)phenyl24dinitrobenzoate
2ETHOXY4(PIPERIDYLTHIOXOMETHYL)PHENYL24DINITROBENZOATE
CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C(=S)N1CCCCC1
InChI=1SC21H21N3O7Sc1230191214(20(32)22104351122)6918(19)3121(25)168715(23(26)27)1317(16)24(28)29h691213H251011H21H3
MFCD01062228
ZINC000006600510
ZINC06600510
ZINC6600510
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