Vitas-M small molecule compound
2-(butylsulfanyl)cyclohexyl 3-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propanoate
Catalog ID
STL565164
SMILES CCCCSC1CCCCC1OC(=O)CCN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C24H36N2O3S MW 432.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H36N2O3S/c1-2-3-13-30-22-9-5-4-8-21(22)29-24(28)11-12-25-15-18-14-19(17-25)20-7-6-10-23(27)26(20)16-18/h6-7,10,18-19,21-22H,2-5,8-9,11-17H2,1H3/t18-,19-,21?,22?/m0/s1InChIKey
WXRHXRQJLTZHBC-CDNGDFIJSA-NSynonyms
(2butylsulfanylcyclohexyl)3((1S9S)6oxo711diazatricyclo(731027)trideca24dien11yl)propanoate
16397151
2(butylsulfanyl)cyclohexyl3((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propanoate
2(butylthio)cyclohexyl3((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)propanoatehydrochloride
CCCCSC1CCCCC1OC(=O)CCN1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1Cl
InChI=1SC24H36N2O3Sc123133022954821(22)2924(28)11122515181419(1725)20761023(27)26(20)1618h671018192122H25891117H21H3t181921?22?m0s1
MFCD02924880
ZINC000002126658
ZINC000100745433
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