Vitas-M small molecule compound
3-{[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK472396
SMILES O=C(C1C2CCC(C1C(=O)O)CC2)Nc1ccc(cc1)Cn1cncn1
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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 C19H22N4O3 MW 354.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O3/c24-18(16-13-3-5-14(6-4-13)17(16)19(25)26)22-15-7-1-12(2-8-15)9-23-11-20-10-21-23/h1-2,7-8,10-11,13-14,16-17H,3-6,9H2,(H,22,24)(H,25,26)InChIKey
GEPIJSOBKPDQKK-UHFFFAOYSA-NSynonyms
2((4(124triazol1ylmethyl)phenyl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((4(1H124triazol1ylmethyl)phenyl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(4(124TRIAZOLYLMETHYL)PHENYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
C1CC2CCC1C(C2C(=O)O)C(=O)NC3=CC=C(C=C3)CN4C=NC=N4
InChI=1SC19H22N4O3c2418(16133514(6413)17(16)19(25)26)22157112(2815)9231120102123h1278101113141617H369H2(H2224)(H2526)
MFCD07626017
ZINC000017073299
ZINC000017073302
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