Vitas-M small molecule compound
ethyl 4-({[(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)sulfanyl]acetyl}amino)piperidine-1-carboxylate
Catalog ID
STK633412
SMILES CCOC(=O)N1CCC(CC1)NC(=O)CSC1CCc2c(N=C1O)cccc2
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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 C20H27N3O4S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O4S/c1-2-27-20(26)23-11-9-15(10-12-23)21-18(24)13-28-17-8-7-14-5-3-4-6-16(14)22-19(17)25/h3-6,15,17H,2,7-13H2,1H3,(H,21,24)(H,22,25)InChIKey
YTQHZXCSVPIFMF-UHFFFAOYSA-NSynonyms
1010907-57-91010907579
CCOC(=O)N1CCC(CC1)NC(=O)CSC2CCC3=CC=CC=C3NC2=O
ethyl4((((2hydroxy45dihydro3H1benzazepin3yl)sulfanyl)acetyl)amino)piperidine1carboxylate
ethyl4((2((2oxo1345tetrahydro1benzazepin3yl)sulfanyl)acetyl)amino)piperidine1carboxylate
InChI=1SC20H27N3O4Sc122720(26)2311915(101223)2118(24)1328178714534616(14)2219(17)25h361517H2713H21H3(H2124)(H2225)
MFCD18160090
ZINC000012323054
ZINC000012323055
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