Vitas-M small molecule compound
3-{[3-(cyclohexylcarbamoyl)-1-ethyl-1H-pyrazol-4-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK447352
SMILES CCn1cc(c(n1)C(=O)NC1CCCCC1)NC(=O)C1C2CCC(C1C(=O)O)CC2
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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 C22H32N4O4 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N4O4/c1-2-26-12-16(19(25-26)21(28)23-15-6-4-3-5-7-15)24-20(27)17-13-8-10-14(11-9-13)18(17)22(29)30/h12-15,17-18H,2-11H2,1H3,(H,23,28)(H,24,27)(H,29,30)InChIKey
WWVJEBKTKXRNGN-UHFFFAOYSA-NSynonyms
2((3(cyclohexylcarbamoyl)1ethylpyrazol4yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3(cyclohexylcarbamoyl)1ethyl1Hpyrazol4yl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(3(NCYCLOHEXYLCARBAMOYL)1ETHYLPYRAZOL4YL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
CCN1C=C(C(=N1)C(=O)NC2CCCCC2)NC(=O)C3C4CCC(C3C(=O)O)CC4
InChI=1SC22H32N4O4c12261216(19(2526)21(28)23156435715)2420(27)171381014(11913)18(17)22(29)30h12151718H211H21H3(H2328)(H2427)(H2930)
MFCD04059727
ZINC000006490173
ZINC000006490179
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