Vitas-M small molecule compound
methyl 3-(3-ethylphenyl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
Catalog ID
STL192859
SMILES COC(=O)c1ccc2c(c1)C1NC(=O)N(C(O2)(C1)C)c1cccc(c1)CC
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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 C21H22N2O4 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4/c1-4-13-6-5-7-15(10-13)23-20(25)22-17-12-21(23,2)27-18-9-8-14(11-16(17)18)19(24)26-3/h5-11,17H,4,12H2,1-3H3,(H,22,25)InChIKey
KSOGZOZUEGFAIV-UHFFFAOYSA-NSynonyms
899743-19-2899743192
CCC1=CC(=CC=C1)N2C(=O)NC3CC2(OC4=C3C=C(C=C4)C(=O)OC)C
InChI=1SC21H22N2O4c141365715(1013)2320(25)22171221(232)27189814(1116(17)18)19(24)263h51117H412H213H3(H2225)
methyl3(3ethylphenyl)2methyl4oxo3456tetrahydro2H26methano135benzoxadiazocine8carboxylate
MFCD07650993
ZINC000101085212
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