Vitas-M small molecule compound

2-[(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexanecarboxylic acid

Catalog ID
STK400409
SMILES O=C(C1CCCCC1C(=O)O)Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(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 C21H30N2O4S MW 406.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N2O4S/c1-21(2,3)11-8-9-14-15(10-11)28-19(16(14)17(22)24)23-18(25)12-6-4-5-7-13(12)20(26)27/h11-13H,4-10H2,1-3H3,(H2,22,24)(H,23,25)(H,26,27)
InChIKey
PBOVIXZMMDUONI-UHFFFAOYSA-N
Synonyms
473445-15-7
2((6tertbutyl3carbamoyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohexane1carboxylicacid
2((6tertbutyl3carbamoyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohexanecarboxylicacid
473445157
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CCCCC3C(=O)O
InChI=1SC21H30N2O4Sc121(23)11891415(1011)2819(16(14)17(22)24)2318(25)12645713(12)20(26)27h1113H410H213H3(H22224)(H2325)(H2627)
MFCD01359451
ZINC000004628391
ZINC000239173991

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Available files

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