Vitas-M small molecule compound

methyl 6-(2-methylbutan-2-yl)-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK421824
SMILES COC(=O)c1c(NC(=O)C2CC2c2ccccc2)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 C25H31NO3S MW 425.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO3S/c1-5-25(2,3)16-11-12-17-20(13-16)30-23(21(17)24(28)29-4)26-22(27)19-14-18(19)15-9-7-6-8-10-15/h6-10,16,18-19H,5,11-14H2,1-4H3,(H,26,27)
InChIKey
GPUFBDGDSHCGJK-UHFFFAOYSA-N
Synonyms
491831-75-5
491831755
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CC3C4=CC=CC=C4
InChI=1SC25H31NO3Sc1525(23)1611121720(1316)3023(21(17)24(28)294)2622(27)191418(19)1597681015h610161819H51114H214H3(H2627)
methyl6(2methylbutan2yl)2(((2phenylcyclopropyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6(2methylbutan2yl)2((2phenylcyclopropanecarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01338781
ZINC000002092795
ZINC000239306247

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.