Vitas-M small molecule compound
methyl 6-tert-butyl-2-{[(2,4-dinitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK331491
SMILES COC(=O)c1c(NC(=O)c2ccc(cc2[N+](=O)[O-])[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 C21H23N3O7S MW 461.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O7S/c1-21(2,3)11-5-7-14-16(9-11)32-19(17(14)20(26)31-4)22-18(25)13-8-6-12(23(27)28)10-15(13)24(29)30/h6,8,10-11H,5,7,9H2,1-4H3,(H,22,25)InChIKey
IRMFTVGPUQKIMF-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))sc2c1CCC(C2)C(C)(C)C
InChI=1SC21H23N3O7Sc121(23)11571416(911)3219(17(14)20(26)314)2218(25)138612(23(27)28)1015(13)24(29)30h681011H579H214H3(H2225)
methyl6tertbutyl2(((24dinitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((24dinitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01348777
ZINC000002082835
ZINC000002082836
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