Vitas-M small molecule compound
ethyl 4-({3-[(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)sulfanyl]propanoyl}amino)piperidine-1-carboxylate
Catalog ID
STK651218
SMILES CCOC(=O)N1CCC(CC1)NC(=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 C21H29N3O4S MW 419.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O4S/c1-2-28-21(27)24-12-9-16(10-13-24)22-19(25)11-14-29-18-8-7-15-5-3-4-6-17(15)23-20(18)26/h3-6,16,18H,2,7-14H2,1H3,(H,22,25)(H,23,26)InChIKey
FCWXPFBAOORNCE-UHFFFAOYSA-NSynonyms
1081147-94-51081147945
CCOC(=O)N1CCC(CC1)NC(=O)CCSC2CCC3=CC=CC=C3NC2=O
ethyl4((3((2hydroxy45dihydro3H1benzazepin3yl)sulfanyl)propanoyl)amino)piperidine1carboxylate
ethyl4(3((2oxo1345tetrahydro1benzazepin3yl)sulfanyl)propanoylamino)piperidine1carboxylate
InChI=1SC21H29N3O4Sc122821(27)2412916(101324)2219(25)111429188715534617(15)2320(18)26h361618H2714H21H3(H2225)(H2326)
MFCD18165889
ZINC000020745450
ZINC000020745451
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