Vitas-M small molecule compound
2-methoxy-5-(morpholin-4-ylcarbonothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Catalog ID
STL382860
SMILES COc1ccc(cc1OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)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/c1-12-15(22(25)26)9-14(10-16(12)23(27)28)20(24)31-18-11-13(3-4-17(18)29-2)19(32)21-5-7-30-8-6-21/h3-4,9-11H,5-8H2,1-2H3InChIKey
WRVRXSXUPNJCAC-UHFFFAOYSA-NSynonyms
(2METHOXY5(MORPHOLINE4CARBOTHIOYL)PHENYL)4METHYL35DINITROBENZOATE
2methoxy5(morpholin4ylcarbonothioyl)phenyl4methyl35dinitrobenzoate
4METHYL35DINITROBENZOICACID2METHOXY5(MORPHOLINE4CARBOTHIOYL)PHENYL
4METHYL35DINITROBENZOICACID2METHOXY5(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)OC2=C(C=CC(=C2)C(=S)N3CCOCC3)OC)(N+)(=O)(O)
COc1ccc(cc1OC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)C(=S)N1CCOCC1
InChI=1SC20H19N3O8Sc11215(22(25)26)914(1016(12)23(27)28)20(24)31181113(3417(18)292)19(32)2157308621h34911H58H212H3
MFCD01062406
ZINC000008670212
ZINC08670212
ZINC8670212
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