Vitas-M small molecule compound
methyl 3-[4-(methoxycarbonyl)phenyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
Catalog ID
STL192617
SMILES COC(=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 C21H20N2O6 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6/c1-21-11-16(15-10-13(19(25)28-3)6-9-17(15)29-21)22-20(26)23(21)14-7-4-12(5-8-14)18(24)27-2/h4-10,16H,11H2,1-3H3,(H,22,26)InChIKey
UOQXZZOBRQHGOY-UHFFFAOYSA-NSynonyms
899743-17-0899743170
CC12CC(C3=C(O1)C=CC(=C3)C(=O)OC)NC(=O)N2C4=CC=C(C=C4)C(=O)OC
InChI=1SC21H20N2O6c1211116(151013(19(25)283)6917(15)2921)2220(26)23(21)147412(5814)18(24)272h41016H11H213H3(H2226)
methyl3(4(methoxycarbonyl)phenyl)2methyl4oxo3456tetrahydro2H26methano135benzoxadiazocine8carboxylate
MFCD07650990
ZINC000101085195
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