Vitas-M small molecule compound
methyl 8-bromo-3-(3-chlorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL134501
SMILES COC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(Br)cc1)c1cccc(c1)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 C19H16BrClN2O3S MW 467.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16BrClN2O3S/c1-19-15(17(24)25-2)16(13-8-10(20)6-7-14(13)26-19)22-18(27)23(19)12-5-3-4-11(21)9-12/h3-9,15-16H,1-2H3,(H,22,27)InChIKey
JLTLWUDBSQKUKZ-UHFFFAOYSA-NSynonyms
CC12C(C(C3=C(O1)C=CC(=C3)Br)NC(=S)N2C4=CC(=CC=C4)Cl)C(=O)OC
InChI=1SC19H16BrClN2O3Sc11915(17(24)252)16(13810(20)6714(13)2619)2218(27)23(19)1253411(21)912h391516H12H3(H2227)
methyl8bromo3(3chlorophenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
MFCD14746279
ZINC000104771165
ZINC000104771169
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Check stock on Vitas-MAvailable files
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