Vitas-M small molecule compound
methyl 2-({[4-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK776103
SMILES COc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C28H30N2O5S MW 506.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O5S/c1-15-22(26(32)30-27-24(28(33)35-3)18-10-4-5-13-21(18)36-27)23(16-8-6-9-17(14-16)34-2)25-19(29-15)11-7-12-20(25)31/h6,8-9,14,23,29H,4-5,7,10-13H2,1-3H3,(H,30,32)InChIKey
DIONAVCOIWARDS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)OC)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC
InChI=1SC28H30N2O5Sc11522(26(32)302724(28(33)353)1810451321(18)3627)23(1686917(1416)342)2519(2915)1171220(25)31h689142329H4571013H213H3(H3032)
methyl2(((4(3methoxyphenyl)2methyl5oxo145678hexahydroquinolin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4(3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05258496
ZINC000001422958
ZINC000012416439
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