Vitas-M small molecule compound
3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
Catalog ID
STL462431
SMILES O=C(Oc1ccc2c(c1C)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 C28H27NO6S MW 505.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO6S/c1-18-9-11-22(12-10-18)36(32,33)29-16-15-26(30)34-25-14-13-23-19(2)24(17-21-7-5-4-6-8-21)28(31)35-27(23)20(25)3/h4-14,29H,15-17H2,1-3H3InChIKey
OMSVSRWHSWFCDB-UHFFFAOYSA-NSynonyms
858755-39-2(3BENZYL48DIMETHYL2OXOCHROMEN7YL)3((4METHYLPHENYL)SULFONYLAMINO)PROPANOATE
3benzyl48dimethyl2oxo2Hchromen7yl3(4methylphenylsulfonamido)propanoate
3benzyl48dimethyl2oxo2Hchromen7ylN((4methylphenyl)sulfonyl)betaalaninate
858755392
CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C
InChI=1SC28H27NO6Sc11891122(121018)36(3233)29161526(30)342514132319(2)24(17217546821)28(31)3527(23)20(25)3h41429H1517H213H3
MFCD03853046
ZINC000002094244
ZINC02094244
ZINC2094244
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