Vitas-M small molecule compound
3-{[3-(cyclohexylcarbamoyl)-1-ethyl-1H-pyrazol-4-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK447351
SMILES CCn1cc(c(n1)C(=O)NC1CCCCC1)NC(=O)C1C2CCC(C1C(=O)O)O2
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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 C20H28N4O5 MW 404.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O5/c1-2-24-10-12(17(23-24)19(26)21-11-6-4-3-5-7-11)22-18(25)15-13-8-9-14(29-13)16(15)20(27)28/h10-11,13-16H,2-9H2,1H3,(H,21,26)(H,22,25)(H,27,28)InChIKey
CQJVQYISJXRVRY-UHFFFAOYSA-NSynonyms
2((3(cyclohexylcarbamoyl)1ethylpyrazol4yl)carbamoyl)7oxabicyclo(221)heptane3carboxylicacid
3((3(cyclohexylcarbamoyl)1ethyl1Hpyrazol4yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
3(N(3(NCYCLOHEXYLCARBAMOYL)1ETHYLPYRAZOL4YL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
CCN1C=C(C(=N1)C(=O)NC2CCCCC2)NC(=O)C3C4CCC(C3C(=O)O)O4
InChI=1SC20H28N4O5c12241012(17(2324)19(26)21116435711)2218(25)15138914(2913)16(15)20(27)28h10111316H29H21H3(H2126)(H2225)(H2728)
MFCD04059673
ZINC000225694842
ZINC000239287351
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