Vitas-M small molecule compound
3-[(4-{[(4-methylphenyl)sulfonyl]amino}phenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK376225
SMILES O=C(C1C2C=CC(C1C(=O)O)O2)Nc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)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 C21H20N2O6S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6S/c1-12-2-8-15(9-3-12)30(27,28)23-14-6-4-13(5-7-14)22-20(24)18-16-10-11-17(29-16)19(18)21(25)26/h2-11,16-19,23H,1H3,(H,22,24)(H,25,26)InChIKey
KQWJDELWBIHFNL-UHFFFAOYSA-NSynonyms
473444-95-02((4((4METHYLPHENYL)SULFONYLAMINO)PHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((4(((4methylphenyl)sulfonyl)amino)phenyl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(N(4(((4METHYLPHENYL)SULFONYL)AMINO)PHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
3PYRROLIDIN1YL1(PTOLYL)2PYRROLIDIN1YLNE
473444950
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3C4C=CC(C3C(=O)O)O4
InChI=1SC21H20N2O6Sc1122815(9312)30(2728)23146413(5714)2220(24)1816101117(2916)19(18)21(25)26h211161923H1H3(H2224)(H2526)
MFCD01355623
ZINC000169700503
ZINC000239128709
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