Vitas-M small molecule compound
methyl 3-(4-bromo-3-methylphenyl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
Catalog ID
STL192850
SMILES COC(=O)c1ccc2c(c1)C1NC(=O)N(C(O2)(C1)C)c1ccc(c(c1)C)Br
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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 C20H19BrN2O4 MW 431.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O4/c1-11-8-13(5-6-15(11)21)23-19(25)22-16-10-20(23,2)27-17-7-4-12(9-14(16)17)18(24)26-3/h4-9,16H,10H2,1-3H3,(H,22,25)InChIKey
YCPBCEQVSDTMCK-UHFFFAOYSA-NSynonyms
899986-74-4899986744
CC1=C(C=CC(=C1)N2C(=O)NC3CC2(OC4=C3C=C(C=C4)C(=O)OC)C)Br
InChI=1SC20H19BrN2O4c111813(5615(11)21)2319(25)22161020(232)27177412(914(16)17)18(24)263h4916H10H213H3(H2225)
methyl3(4bromo3methylphenyl)2methyl4oxo3456tetrahydro2H26methano135benzoxadiazocine8carboxylate
MFCD07650982
ZINC000009752705
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