Vitas-M small molecule compound
(1S)-3-[2-hydroxy-3-(octylsulfanyl)propyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL562294
SMILES CCCCCCCCSCC(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O
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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 C22H36N2O2S MW 392.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H36N2O2S/c1-2-3-4-5-6-7-11-27-17-20(25)16-23-13-18-12-19(15-23)21-9-8-10-22(26)24(21)14-18/h8-10,18-20,25H,2-7,11-17H2,1H3/t18-,19-,20?/m0/s1InChIKey
XVCNYYCPAKHFJJ-NFBCFJMWSA-NSynonyms
(1R5S)3(2hydroxy3(octylthio)propyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S)3(2hydroxy3(octylsulfanyl)propyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1S9S)11(2hydroxy3octylsulfanylpropyl)711diazatricyclo(731027)trideca24dien6one
44891264
CCCCCCCCSCC(CN1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)O
InChI=1SC22H36N2O2Sc123456711271720(25)162313181219(1523)21981022(26)24(21)1418h810182025H271117H21H3t181920?m0s1
MFCD06763582
ZINC000104583089
ZINC000104583094
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