Vitas-M small molecule compound
ethyl 4-{3-[(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)sulfanyl]propanoyl}piperazine-1-carboxylate
Catalog ID
STK644173
SMILES CCOC(=O)N1CCN(CC1)C(=O)CCSC1CCc2c(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)23-12-10-22(11-13-23)18(24)9-14-28-17-8-7-15-5-3-4-6-16(15)21-19(17)25/h3-6,17H,2,7-14H2,1H3,(H,21,25)InChIKey
RWDFGUUWQNCZEU-UHFFFAOYSA-NSynonyms
1010886-72-21010886722
CCOC(=O)N1CCN(CC1)C(=O)CCSC2CCC3=CC=CC=C3NC2=O
ethyl4(3((2hydroxy45dihydro3H1benzazepin3yl)sulfanyl)propanoyl)piperazine1carboxylate
ethyl4(3((2oxo1345tetrahydro1benzazepin3yl)sulfanyl)propanoyl)piperazine1carboxylate
InChI=1SC20H27N3O4Sc122720(26)23121022(111323)18(24)91428178715534616(15)2119(17)25h3617H2714H21H3(H2125)
MFCD18163533
ZINC000012322593
ZINC000012322594
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