Vitas-M small molecule compound
(1S)-3-[3-(benzylsulfanyl)-2-hydroxypropyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL564379
SMILES OC(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)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 C21H26N2O2S MW 370.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O2S/c24-19(15-26-14-16-5-2-1-3-6-16)13-22-10-17-9-18(12-22)20-7-4-8-21(25)23(20)11-17/h1-8,17-19,24H,9-15H2/t17-,18-,19?/m0/s1InChIKey
NAQAQSQPMQDCCJ-ADUPEVMXSA-NSynonyms
(1R5S)3(3(benzylthio)2hydroxypropyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S)3(3(benzylsulfanyl)2hydroxypropyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1S9S)11(3benzylsulfanyl2hydroxypropyl)711diazatricyclo(731027)trideca24dien6one
44891289
InChI=1SC21H26N2O2Sc2419(152614165213616)13221017918(1222)2074821(25)23(20)1117h18171924H915H2t171819?m0s1
MFCD01547856
OC(CN1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)CSCc1ccccc1
ZINC000104236781
ZINC000104236787
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