Vitas-M small molecule compound
2-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Catalog ID
STK757074
SMILES CCOc1cc(ccc1OC(=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 C21H21N3O8S MW 475.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O8S/c1-3-31-19-12-14(20(33)22-6-8-30-9-7-22)4-5-18(19)32-21(25)15-10-16(23(26)27)13(2)17(11-15)24(28)29/h4-5,10-12H,3,6-9H2,1-2H3InChIKey
KJYTUIDNQZSPJQ-UHFFFAOYSA-NSynonyms
(2ETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)4METHYL35DINITROBENZOATE
2ethoxy4(morpholin4ylcarbonothioyl)phenyl4methyl35dinitrobenzoate
CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=C(C(=C3)(N+)(=O)(O))C)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)C(=S)N1CCOCC1
InChI=1SC21H21N3O8Sc1331191214(20(33)2268309722)4518(19)3221(25)151016(23(26)27)13(2)17(1115)24(28)29h451012H369H212H3
MFCD01062387
ZINC000006600500
ZINC06600500
ZINC6600500
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