Vitas-M small molecule compound
methyl 8-bromo-2-methyl-3-(3-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094736
SMILES COC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(Br)cc1)c1cccc(c1)C
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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 C20H19BrN2O3S MW 447.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O3S/c1-11-5-4-6-13(9-11)23-19(27)22-17-14-10-12(21)7-8-15(14)26-20(23,2)16(17)18(24)25-3/h4-10,16-17H,1-3H3,(H,22,27)InChIKey
MVBLFMPRGJJIAA-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)N2C(=S)NC3C(C2(OC4=C3C=C(C=C4)Br)C)C(=O)OC
InChI=1SC20H19BrN2O3Sc11154613(911)2319(27)2217141012(21)7815(14)2620(232)16(17)18(24)253h4101617H13H3(H2227)
methyl8bromo2methyl3(3methylphenyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
MFCD18788178
ZINC000102906858
ZINC000106550050
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