Vitas-M small molecule compound
2-methyl-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid
Catalog ID
STL388677
SMILES OC(=O)C1C(=O)N(CCc2ccc(cc2)S(=O)(=O)N)C2(CC1c1ccccc1O2)C
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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 C21H22N2O6S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O6S/c1-21-12-16(15-4-2-3-5-17(15)29-21)18(20(25)26)19(24)23(21)11-10-13-6-8-14(9-7-13)30(22,27)28/h2-9,16,18H,10-12H2,1H3,(H,25,26)(H2,22,27,28)InChIKey
RVWRTFMKECWWMR-UHFFFAOYSA-NSynonyms
2methyl4oxo3(2(4sulfamoylphenyl)ethyl)3456tetrahydro2H26methano13benzoxazocine5carboxylicacid
CC12CC(C(C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N)C(=O)O)C4=CC=CC=C4O2
InChI=1SC21H22N2O6Sc1211216(15423517(15)2921)18(20(25)26)19(24)23(21)1110136814(9713)30(2227)28h291618H1012H21H3(H2526)(H2222728)
MFCD07397855
ZINC000013567011
ZINC000034087042
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