Vitas-M small molecule compound

2-ethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 3,5-dinitrobenzoate

Catalog ID
STL384011
SMILES CCOc1cc(ccc1OC(=O)c1cc(cc(c1)[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)22-8-4-3-5-9-22)6-7-18(19)31-21(25)15-10-16(23(26)27)13-17(11-15)24(28)29/h6-7,10-13H,2-5,8-9H2,1H3
InChIKey
SPOZHQZZWUBHMJ-UHFFFAOYSA-N
Synonyms

(2ETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)35DINITROBENZOATE
2ethoxy4(piperidin1ylcarbonothioyl)phenyl35dinitrobenzoate
2ETHOXY4(PIPERIDYLTHIOXOMETHYL)PHENYL35DINITROBENZOATE
35DINITROBENZOICACID2ETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))C(=S)N1CCCCC1
InChI=1SC21H21N3O7Sc1230191214(20(32)228435922)6718(19)3121(25)151016(23(26)27)1317(1115)24(28)29h671013H2589H21H3
MFCD01062229
ZINC000006600501
ZINC06600501
ZINC6600501

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Available files

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