Vitas-M small molecule compound
prop-2-en-1-yl 8-bromo-2-methyl-3-(4-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092840
SMILES C=CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(Br)cc1)c1ccc(cc1)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 C22H21BrN2O3S MW 473.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O3S/c1-4-11-27-20(26)18-19-16-12-14(23)7-10-17(16)28-22(18,3)25(21(29)24-19)15-8-5-13(2)6-9-15/h4-10,12,18-19H,1,11H2,2-3H3,(H,24,29)InChIKey
QYBRHRLQABTDOF-UHFFFAOYSA-NSynonyms
1291839-42-31291839423
CC1=CC=C(C=C1)N2C(=S)NC3C(C2(OC4=C3C=C(C=C4)Br)C)C(=O)OCC=C
InChI=1SC22H21BrN2O3Sc14112720(26)1819161214(23)71017(16)2822(183)25(21(29)2419)158513(2)6915h410121819H111H223H3(H2429)
MFCD18787044
prop2en1yl8bromo2methyl3(4methylphenyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
ZINC000100033821
ZINC000106549229
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