Vitas-M small molecule compound
dimethyl 2-[({4-[(methylsulfonyl)(prop-2-en-1-yl)amino]phenyl}carbonyl)amino]benzene-1,4-dicarboxylate
Catalog ID
STL072049
SMILES C=CCN(S(=O)(=O)C)c1ccc(cc1)C(=O)Nc1cc(ccc1C(=O)OC)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 C21H22N2O7S MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O7S/c1-5-12-23(31(4,27)28)16-9-6-14(7-10-16)19(24)22-18-13-15(20(25)29-2)8-11-17(18)21(26)30-3/h5-11,13H,1,12H2,2-4H3,(H,22,24)InChIKey
FLBMIOISCZALOZ-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C
dimethyl2(((4((methylsulfonyl)(prop2en1yl)amino)phenyl)carbonyl)amino)benzene14dicarboxylate
DIMETHYL2((4(METHYLSULFONYL(PROP2ENYL)AMINO)BENZOYL)AMINO)BENZENE14DICARBOXYLATE
InChI=1SC21H22N2O7Sc151223(31(427)28)169614(71016)19(24)22181315(20(25)292)81117(18)21(26)303h51113H112H224H3(H2224)
MFCD06630254
ZINC000013896628
ZINC13896628
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