Vitas-M small molecule compound
3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
Catalog ID
STL462354
SMILES O=C(Oc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1)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 C27H25NO6S MW 491.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO6S/c1-18-8-11-22(12-9-18)35(31,32)28-15-14-26(29)33-21-10-13-23-19(2)24(27(30)34-25(23)17-21)16-20-6-4-3-5-7-20/h3-13,17,28H,14-16H2,1-2H3InChIKey
XNBDXQYTGBJYRC-UHFFFAOYSA-NSynonyms
858753-36-3(3BENZYL4METHYL2OXOCHROMEN7YL)3((4METHYLPHENYL)SULFONYLAMINO)PROPANOATE
3benzyl4methyl2oxo2Hchromen7yl3(4methylphenylsulfonamido)propanoate
3benzyl4methyl2oxo2Hchromen7ylN((4methylphenyl)sulfonyl)betaalaninate
858753363
CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C
InChI=1SC27H25NO6Sc11881122(12918)35(3132)28151426(29)332110132319(2)24(27(30)3425(23)1721)16206435720h3131728H1416H212H3
MFCD03851278
ZINC000002148789
ZINC02148789
ZINC2148789
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