Vitas-M small molecule compound

6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate

Catalog ID
STL226427
SMILES CCc1cc2c(C)cc(=O)oc2cc1OC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1

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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/c1-4-21-16-23-19(3)14-27(30)34-26(23)17-25(21)35-28(31)24(15-20-8-6-5-7-9-20)29-36(32,33)22-12-10-18(2)11-13-22/h5-14,16-17,24,29H,4,15H2,1-3H3/t24-/m0/s1
InChIKey
CETRJRKSSZCPAU-DEOSSOPVSA-N
Synonyms

(6ETHYL4METHYL2OXOCHROMEN7YL)(2S)2((4METHYLPHENYL)SULFONYLAMINO)3PHENYLPROPANOATE
6ethyl4methyl2oxo2Hchromen7yl2(4methylphenylsulfonamido)3phenylpropanoate
6ethyl4methyl2oxo2Hchromen7ylN((4methylphenyl)sulfonyl)Lphenylalaninate
CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C
CCc1cc2c(C)cc(=O)oc2cc1OC(=O)(C@@H)(NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1
CCc1cc2c(C)cc(=O)oc2cc1OC(=O)C(NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1
InChI=1SC28H27NO6Sc1421162319(3)1427(30)3426(23)1725(21)3528(31)24(15208657920)2936(3233)22121018(2)111322h51416172429H415H213H3t24m0s1
MFCD10040614
ZINC000000627334
ZINC00627334
ZINC627334

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Available files

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