Vitas-M small molecule compound

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

Catalog ID
STK441507
SMILES COC(=O)c1c(NC(=O)C2CC2)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 C19H27NO3S MW 349.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27NO3S/c1-5-19(2,3)12-8-9-13-14(10-12)24-17(15(13)18(22)23-4)20-16(21)11-6-7-11/h11-12H,5-10H2,1-4H3,(H,20,21)
InChIKey
MQLHHBBYNFQXBC-UHFFFAOYSA-N
Synonyms

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CC3
InChI=1SC19H27NO3Sc1519(23)12891314(1012)2417(15(13)18(22)234)2016(21)116711h1112H510H214H3(H2021)
methyl2((cyclopropylcarbonyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(cyclopropanecarbonylamino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
MFCD03381400
ZINC000002757029
ZINC000002757030

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Available files

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