Vitas-M small molecule compound
2-oxo-2-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]ethyl S-benzyl-N-(phenylcarbonyl)cysteinate
Catalog ID
STK686161
SMILES O=C(N1CCN(CC1)C12CC3CC(C2)CC(C1)C3)COC(=O)C(NC(=O)c1ccccc1)CSCc1ccccc1
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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 C33H41N3O4S MW 575.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N3O4S/c37-30(35-11-13-36(14-12-35)33-18-25-15-26(19-33)17-27(16-25)20-33)21-40-32(39)29(23-41-22-24-7-3-1-4-8-24)34-31(38)28-9-5-2-6-10-28/h1-10,25-27,29H,11-23H2,(H,34,38)InChIKey
LDPWCBLMUZPMAS-UHFFFAOYSA-NSynonyms
(2(4(1ADAMANTYL)PIPERAZIN1YL)2OXOETHYL)2BENZAMIDO3BENZYLSULFANYLPROPANOATE
2oxo2(4(tricyclo(3311~37~)dec1yl)piperazin1yl)ethylSbenzylN(phenylcarbonyl)cysteinate
C1CN(CCN1C(=O)COC(=O)C(CSCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5
InChI=1SC33H41N3O4Sc3730(35111336(141235)3318251526(1933)1727(1625)2033)214032(39)29(234122247314824)3431(38)2895261028h110252729H1123H2(H3438)
MFCD06014844
ZINC000098007864
ZINC000098007865
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