Vitas-M small molecule compound

methyl 3-({N-[4-(benzyloxy)phenyl]-N-(methylsulfonyl)glycyl}amino)-2-methylbenzoate

Catalog ID
STL100680
SMILES COC(=O)c1cccc(c1C)NC(=O)CN(S(=O)(=O)C)c1ccc(cc1)OCc1ccccc1

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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 C25H26N2O6S MW 482.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O6S/c1-18-22(25(29)32-2)10-7-11-23(18)26-24(28)16-27(34(3,30)31)20-12-14-21(15-13-20)33-17-19-8-5-4-6-9-19/h4-15H,16-17H2,1-3H3,(H,26,28)
InChIKey
XMFGDDFYZUMGJG-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC=C1NC(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C)C(=O)OC
InChI=1SC25H26N2O6Sc11822(25(29)322)1071123(18)2624(28)1627(34(330)31)20121421(151320)3317198546919h415H1617H213H3(H2628)
METHYL2METHYL3((2(NMETHYLSULFONYL4PHENYLMETHOXYANILINO)ACETYL)AMINO)BENZOATE
methyl3((N(4(benzyloxy)phenyl)N(methylsulfonyl)glycyl)amino)2methylbenzoate
MFCD06623216
ZINC000002869601
ZINC02869601
ZINC2869601

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.