Vitas-M small molecule compound
3-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK471638
SMILES CCc1sc(nc1c1ccccc1)NC(=O)C1C2CCC(C1C(=O)O)C=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 C21H22N2O3S MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S/c1-2-15-18(14-6-4-3-5-7-14)22-21(27-15)23-19(24)16-12-8-10-13(11-9-12)17(16)20(25)26/h3-8,10,12-13,16-17H,2,9,11H2,1H3,(H,25,26)(H,22,23,24)InChIKey
ONISCLVVLIAURN-UHFFFAOYSA-NSynonyms
2((5ethyl4phenyl13thiazol2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((5ethyl4phenyl13thiazol2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N(5ETHYL4PHENYL13THIAZOL2YL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
CCC1=C(N=C(S1)NC(=O)C2C3CCC(C2C(=O)O)C=C3)C4=CC=CC=C4
InChI=1SC21H22N2O3Sc121518(146435714)2221(2715)2319(24)161281013(11912)17(16)20(25)26h381012131617H2911H21H3(H2526)(H222324)
MFCD06021939
ZINC000102343331
ZINC000239173724
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