Vitas-M small molecule compound
ethyl 8-bromo-3-(4-methoxybenzyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094417
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(Br)cc1)Cc1ccc(cc1)OC
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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 C22H23BrN2O4S MW 491.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN2O4S/c1-4-28-20(26)18-19-16-11-14(23)7-10-17(16)29-22(18,2)25(21(30)24-19)12-13-5-8-15(27-3)9-6-13/h5-11,18-19H,4,12H2,1-3H3,(H,24,30)InChIKey
XCXVFBQNIWRZEC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C2C3=C(C=CC(=C3)Br)OC1(N(C(=S)N2)CC4=CC=C(C=C4)OC)C
ethyl8bromo3(4methoxybenzyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC22H23BrN2O4Sc142820(26)1819161114(23)71017(16)2922(182)25(21(30)2419)12135815(273)9613h5111819H412H213H3(H2430)
MFCD18788141
ZINC000102906845
ZINC000102906846
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