Vitas-M small molecule compound
methyl 3-[4-(ethoxycarbonyl)phenyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
Catalog ID
STL192635
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)NC2CC1(C)Oc1c2cc(cc1)C(=O)OC
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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 C22H22N2O6 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6/c1-4-29-20(26)13-5-8-15(9-6-13)24-21(27)23-17-12-22(24,2)30-18-10-7-14(11-16(17)18)19(25)28-3/h5-11,17H,4,12H2,1-3H3,(H,23,27)InChIKey
YVGYNGCNVSQNNJ-UHFFFAOYSA-NSynonyms
899986-72-2899986722
CCOC(=O)C1=CC=C(C=C1)N2C(=O)NC3CC2(OC4=C3C=C(C=C4)C(=O)OC)C
InChI=1SC22H22N2O6c142920(26)135815(9613)2421(27)23171222(242)301810714(1116(17)18)19(25)283h51117H412H213H3(H2327)
methyl3(4(ethoxycarbonyl)phenyl)2methyl4oxo3456tetrahydro2H26methano135benzoxadiazocine8carboxylate
MFCD07650979
ZINC000101085125
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