Vitas-M small molecule compound
methyl 3-(3-chloro-2-methylphenyl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
Catalog ID
STL192622
SMILES COC(=O)c1ccc2c(c1)C1NC(=O)N(C(O2)(C1)C)c1cccc(c1C)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 C20H19ClN2O4 MW 386.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O4/c1-11-14(21)5-4-6-16(11)23-19(25)22-15-10-20(23,2)27-17-8-7-12(9-13(15)17)18(24)26-3/h4-9,15H,10H2,1-3H3,(H,22,25)InChIKey
OBJWXEIUQNNWDT-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1Cl)N2C(=O)NC3CC2(OC4=C3C=C(C=C4)C(=O)OC)C
InChI=1SC20H19ClN2O4c11114(21)54616(11)2319(25)22151020(232)27178712(913(15)17)18(24)263h4915H10H213H3(H2225)
methyl3(3chloro2methylphenyl)2methyl4oxo3456tetrahydro2H26methano135benzoxadiazocine8carboxylate
MFCD22390770
ZINC000072333297
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