Vitas-M small molecule compound

2-{[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid

Catalog ID
STK432712
SMILES CCC(C1CCc2c(C1)sc(c2C(=O)N)NC(=O)C1CCCCC1C(=O)O)(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 C22H32N2O4S MW 420.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N2O4S/c1-4-22(2,3)12-9-10-15-16(11-12)29-20(17(15)18(23)25)24-19(26)13-7-5-6-8-14(13)21(27)28/h12-14H,4-11H2,1-3H3,(H2,23,25)(H,24,26)(H,27,28)
InChIKey
GZMWRCRHFBWVNU-UHFFFAOYSA-N
Synonyms

2((3carbamoyl6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohexane1carboxylicacid
2((3carbamoyl6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohexanecarboxylicacid
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CCCCC3C(=O)O
InChI=1SC22H32N2O4Sc1422(23)129101516(1112)2920(17(15)18(23)25)2419(26)13756814(13)21(27)28h1214H411H213H3(H22325)(H2426)(H2728)
MFCD02254286
ZINC000004614256
ZINC000239308838

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Available files

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