Vitas-M small molecule compound
3-{[3-(cyclohexylcarbamoyl)-1-ethyl-1H-pyrazol-4-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK447505
SMILES CCn1cc(c(n1)C(=O)NC1CCCCC1)NC(=O)C1C2C=CC(C1C(=O)O)C2
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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 C21H28N4O4 MW 400.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O4/c1-2-25-11-15(18(24-25)20(27)22-14-6-4-3-5-7-14)23-19(26)16-12-8-9-13(10-12)17(16)21(28)29/h8-9,11-14,16-17H,2-7,10H2,1H3,(H,22,27)(H,23,26)(H,28,29)InChIKey
NJXAZGLZQOWLCK-UHFFFAOYSA-NSynonyms
2((3(cyclohexylcarbamoyl)1ethylpyrazol4yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3(cyclohexylcarbamoyl)1ethyl1Hpyrazol4yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(3(NCYCLOHEXYLCARBAMOYL)1ETHYLPYRAZOL4YL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCN1C=C(C(=N1)C(=O)NC2CCCCC2)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC21H28N4O4c12251115(18(2425)20(27)22146435714)2319(26)16128913(1012)17(16)21(28)29h8911141617H2710H21H3(H2227)(H2326)(H2829)
MFCD04059835
ZINC000102252400
ZINC000239165061
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