Vitas-M small molecule compound
2-[(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
Catalog ID
STK642051
SMILES COc1ccc(cc1)N1CCN(CC1)C(=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 C23H27N3O3S MW 425.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O3S/c1-29-19-9-7-18(8-10-19)25-12-14-26(15-13-25)22(27)16-30-21-11-6-17-4-2-3-5-20(17)24-23(21)28/h2-5,7-10,21H,6,11-16H2,1H3,(H,24,28)InChIKey
JHSIYKFUGJEEJX-UHFFFAOYSA-NSynonyms
1010874-72-21010874722
2((2hydroxy45dihydro3H1benzazepin3yl)sulfanyl)1(4(4methoxyphenyl)piperazin1yl)ethanone
3(2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl1345tetrahydro1benzazepin2one
COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3CCC4=CC=CC=C4NC3=O
InChI=1SC23H27N3O3Sc129199718(81019)25121426(151325)22(27)16302111617423520(17)2423(21)28h2571021H61116H21H3(H2428)
MFCD18162848
ZINC000012323395
ZINC000012323396
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