Vitas-M small molecule compound
methyl 6-(2-methylbutan-2-yl)-2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK419180
SMILES COC(=O)c1c(NC(=O)c2ccc(c(c2)C)[N+](=O)[O-])sc2c1CCC(C2)C(CC)(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/c1-6-23(3,4)15-8-9-16-18(12-15)31-21(19(16)22(27)30-5)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
WLWHGPKMUQGFGK-UHFFFAOYSA-NSynonyms
353475-52-2353475522
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=C(C=C3)(N+)(=O)(O))C
COC(=O)c1c(NC(=O)c2ccc(c(c2)C)(N+)(=O)(O))sc2c1CCC(C2)C(CC)(C)C
InChI=1SC23H28N2O5Sc1623(34)15891618(1215)3121(19(16)22(27)305)2420(26)1471017(25(28)29)13(2)1114h7101115H68912H215H3(H2426)
methyl6(2methylbutan2yl)2(((3methyl4nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6(2methylbutan2yl)2((3methyl4nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01355887
ZINC000002084011
ZINC000002084012
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