Vitas-M small molecule compound

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

Catalog ID
STL384004
SMILES CCOc1cc(ccc1OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C(=S)N1CCOCC1

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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 C20H19N3O8S MW 461.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O8S/c1-2-30-18-11-13(19(32)21-5-7-29-8-6-21)3-4-17(18)31-20(24)14-9-15(22(25)26)12-16(10-14)23(27)28/h3-4,9-12H,2,5-8H2,1H3
InChIKey
GWKPPSJTEQRNQM-UHFFFAOYSA-N
Synonyms

(2ETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)35DINITROBENZOATE
2ethoxy4(morpholin4ylcarbonothioyl)phenyl35dinitrobenzoate
2ETHOXY4(MORPHOLIN4YLTHIOXOMETHYL)PHENYL35DINITROBENZOATE
35DINITROBENZOICACID2ETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)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)N1CCOCC1
InChI=1SC20H19N3O8Sc1230181113(19(32)2157298621)3417(18)3120(24)14915(22(25)26)1216(1014)23(27)28h34912H258H21H3
MFCD01062386
ZINC000006600502
ZINC06600502
ZINC6600502

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Available files

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