Vitas-M small molecule compound
2-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 2,4-dinitrobenzoate
Catalog ID
STL382849
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1[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)21-7-9-29-10-8-21)3-6-17(18)31-20(24)15-5-4-14(22(25)26)12-16(15)23(27)28/h3-6,11-12H,2,7-10H2,1H3InChIKey
GRLGIPMRURHOJN-UHFFFAOYSA-NSynonyms
(2ETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)24DINITROBENZOATE
24DINITROBENZOICACID2ETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
2ethoxy4(morpholin4ylcarbonothioyl)phenyl24dinitrobenzoate
CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)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)N1CCOCC1
InChI=1SC20H19N3O8Sc1230181113(19(32)21792910821)3617(18)3120(24)155414(22(25)26)1216(15)23(27)28h361112H2710H21H3
MFCD01062385
ZINC000006600511
ZINC06600511
ZINC6600511
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