Vitas-M small molecule compound
N-[3-(cyclohexylcarbamoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]-1-methyl-1H-pyrazole-5-carboxamide
Catalog ID
STK444440
SMILES O=C(c1c(sc2c1CCCCCC2)NC(=O)c1ccnn1C)NC1CCCCC1
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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 C22H30N4O2S MW 414.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O2S/c1-26-17(13-14-23-26)20(27)25-22-19(21(28)24-15-9-5-4-6-10-15)16-11-7-2-3-8-12-18(16)29-22/h13-15H,2-12H2,1H3,(H,24,28)(H,25,27)InChIKey
WJVQMNCORHJBAF-UHFFFAOYSA-NSynonyms
CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)NC4CCCCC4
InChI=1SC22H30N4O2Sc12617(13142326)20(27)252219(21(28)241595461015)161172381218(16)2922h1315H212H21H3(H2428)(H2527)
MFCD04055589
N(3(cyclohexylcarbamoyl)456789hexahydrocycloocta(b)thiophen2yl)1methyl1Hpyrazole5carboxamide
N(3(cyclohexylcarbamoyl)456789hexahydrocycloocta(b)thiophen2yl)2methylpyrazole3carboxamide
ZINC000006827573
ZINC06827573
ZINC6827573
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