Vitas-M small molecule compound
3-(5-chloro-2-methoxyphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Catalog ID
STL094402
SMILES COc1ccc(cc1N1C(=S)NC2CC1(C)Oc1c2cccc1)Cl
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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 C18H17ClN2O2S MW 360.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2O2S/c1-18-10-13(12-5-3-4-6-15(12)23-18)20-17(24)21(18)14-9-11(19)7-8-16(14)22-2/h3-9,13H,10H2,1-2H3,(H,20,24)InChIKey
INIMJKRMTMHZBR-UHFFFAOYSA-NSynonyms
3(5chloro2methoxyphenyl)2methyl2356tetrahydro4H26methano135benzoxadiazocine4thione
CC12CC(C3=CC=CC=C3O1)NC(=S)N2C4=C(C=CC(=C4)Cl)OC
InChI=1SC18H17ClN2O2Sc1181013(12534615(12)2318)2017(24)21(18)14911(19)7816(14)222h3913H10H212H3(H2024)
MFCD15086226
ZINC000100031989
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