Vitas-M small molecule compound
2-({2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]hydrazinyl}carbonyl)cyclohexanecarboxylic acid
Catalog ID
STK449307
SMILES O=C(C1CCCCC1C(=O)O)NNC(=O)c1csc2c1CCC(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)12-8-9-13-16(11-28-17(13)10-12)19(25)23-22-18(24)14-6-4-5-7-15(14)20(26)27/h11-12,14-15H,4-10H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)InChIKey
ABFBPAAUWNZRBG-UHFFFAOYSA-NSynonyms
2(((6tertbutyl4567tetrahydro1benzothiophene3carbonyl)amino)carbamoyl)cyclohexane1carboxylicacid
2((2((6tertbutyl4567tetrahydro1benzothiophen3yl)carbonyl)hydrazinyl)carbonyl)cyclohexanecarboxylicacid
CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NNC(=O)C3CCCCC3C(=O)O
InChI=1SC21H30N2O4Sc121(23)12891316(112817(13)1012)19(25)232218(24)14645715(14)20(26)27h11121415H410H213H3(H2224)(H2325)(H2627)
MFCD03466967
ZINC000002760661
ZINC000238997221
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