Vitas-M small molecule compound
8-bromo-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Catalog ID
STL192504
SMILES COc1cc(CCN2C(=S)NC3CC2(C)Oc2c3cc(cc2)Br)ccc1OC
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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 C21H23BrN2O3S MW 463.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN2O3S/c1-21-12-16(15-11-14(22)5-7-17(15)27-21)23-20(28)24(21)9-8-13-4-6-18(25-2)19(10-13)26-3/h4-7,10-11,16H,8-9,12H2,1-3H3,(H,23,28)InChIKey
DKAJDBOQVDKUDY-UHFFFAOYSA-NSynonyms
702656-23-3702656233
8bromo3(2(34dimethoxyphenyl)ethyl)2methyl2356tetrahydro4H26methano135benzoxadiazocine4thione
CC12CC(C3=C(O1)C=CC(=C3)Br)NC(=S)N2CCC4=CC(=C(C=C4)OC)OC
InChI=1SC21H23BrN2O3Sc1211216(151114(22)5717(15)2721)2320(28)24(21)98134618(252)19(1013)263h47101116H8912H213H3(H2328)
MFCD15086261
ZINC000102733414
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