Vitas-M small molecule compound
4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
Catalog ID
STL463605
SMILES O=C(Oc1ccc2c(c1C)oc(=O)cc2C)CCNS(=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 C21H21NO6S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO6S/c1-13-4-6-16(7-5-13)29(25,26)22-11-10-19(23)27-18-9-8-17-14(2)12-20(24)28-21(17)15(18)3/h4-9,12,22H,10-11H2,1-3H3InChIKey
DQNUMGXUUMEPOP-UHFFFAOYSA-NSynonyms
858749-55-0(48DIMETHYL2OXOCHROMEN7YL)3((4METHYLPHENYL)SULFONYLAMINO)PROPANOATE
48dimethyl2oxo2Hchromen7yl3(4methylphenylsulfonamido)propanoate
48dimethyl2oxo2Hchromen7ylN((4methylphenyl)sulfonyl)betaalaninate
858749550
CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(C3=C(C=C2)C(=CC(=O)O3)C)C
InChI=1SC21H21NO6Sc1134616(7513)29(2526)22111019(23)2718981714(2)1220(24)2821(17)15(18)3h491222H1011H213H3
MFCD03851883
ZINC000002150509
ZINC02150509
ZINC2150509
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