Vitas-M small molecule compound
ethyl 4-({[3-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonothioyl}amino)benzoate
Catalog ID
STK663164
SMILES CCOC(=O)c1ccc(cc1)NC(=S)N1CCCC(C1)C(=O)N1CCCCCC1
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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 C22H31N3O3S MW 417.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N3O3S/c1-2-28-21(27)17-9-11-19(12-10-17)23-22(29)25-15-7-8-18(16-25)20(26)24-13-5-3-4-6-14-24/h9-12,18H,2-8,13-16H2,1H3,(H,23,29)InChIKey
CNFULTIQOSGWAC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC(C2)C(=O)N3CCCCCC3
ETHYL4(((3(AZEPAN1YLCARBONYL)PIPERIDIN1YL)CARBONOTHIOYL)AMINO)BENZOATE
ETHYL4((3(AZEPANE1CARBONYL)PIPERIDINE1CARBOTHIOYL)AMINO)BENZOATE
InChI=1SC22H31N3O3Sc122821(27)1791119(121017)2322(29)25157818(1625)20(26)241353461424h91218H281316H21H3(H2329)
MFCD06013915
ZINC000004622715
ZINC000004622716
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