Vitas-M small molecule compound
ethyl 6-tert-butyl-2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK430744
SMILES CCOC(=O)c1c(NC(=O)c2ccc(c(c2)C)[N+](=O)[O-])sc2c1CCC(C2)C(C)(C)C
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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 C23H28N2O5S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O5S/c1-6-30-22(27)19-16-9-8-15(23(3,4)5)12-18(16)31-21(19)24-20(26)14-7-10-17(25(28)29)13(2)11-14/h7,10-11,15H,6,8-9,12H2,1-5H3,(H,24,26)InChIKey
YDHJATVUOSTCEI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC(=C(C=C3)(N+)(=O)(O))C
CCOC(=O)c1c(NC(=O)c2ccc(c(c2)C)(N+)(=O)(O))sc2c1CCC(C2)C(C)(C)C
ethyl6tertbutyl2(((3methyl4nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2((3methyl4nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H28N2O5Sc163022(27)19169815(23(34)5)1218(16)3121(19)2420(26)1471017(25(28)29)13(2)1114h7101115H68912H215H3(H2426)
MFCD01338767
ZINC000001946341
ZINC000001946343
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