Vitas-M small molecule compound
3,4-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
Catalog ID
STL462714
SMILES O=C(Oc1ccc2c(c1)oc(=O)c(c2C)C)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/c1-13-4-7-17(8-5-13)29(25,26)22-11-10-20(23)27-16-6-9-18-14(2)15(3)21(24)28-19(18)12-16/h4-9,12,22H,10-11H2,1-3H3InChIKey
UDHGIKXXRPQQFH-UHFFFAOYSA-NSynonyms
858755-53-0(34DIMETHYL2OXOCHROMEN7YL)3((4METHYLPHENYL)SULFONYLAMINO)PROPANOATE
34dimethyl2oxo2Hchromen7yl3(4methylphenylsulfonamido)propanoate
34dimethyl2oxo2Hchromen7ylN((4methylphenyl)sulfonyl)betaalaninate
858755530
CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=C(C(=O)O3)C)C
InChI=1SC21H21NO6Sc1134717(8513)29(2526)22111020(23)2716691814(2)15(3)21(24)2819(18)1216h491222H1011H213H3
MFCD03853920
ZINC000002095808
ZINC02095808
ZINC2095808
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