Vitas-M small molecule compound

6-oxo-6H-benzo[c]chromen-3-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate

Catalog ID
STL462374
SMILES CC[C@H]([C@@H](C(=O)Oc1ccc2c(c1)oc(=O)c1c2cccc1)NS(=O)(=O)c1ccc(cc1)C)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 C26H25NO6S MW 479.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO6S/c1-4-17(3)24(27-34(30,31)19-12-9-16(2)10-13-19)26(29)32-18-11-14-21-20-7-5-6-8-22(20)25(28)33-23(21)15-18/h5-15,17,24,27H,4H2,1-3H3/t17-,24+/m1/s1
InChIKey
YJBXMXYLVLSDFT-OSPHWJPCSA-N
Synonyms

(2S3R)6oxo6Hbenzo(c)chromen3yl3methyl2(4methylphenylsulfonamido)pentanoate
(6OXOBENZO(C)CHROMEN3YL)(2S3R)3METHYL2((4METHYLPHENYL)SULFONYLAMINO)PENTANOATE
6oxo6Hbenzo(c)chromen3ylN((4methylphenyl)sulfonyl)Lisoleucinate
CC(C@H)((C@@H)(C(=O)Oc1ccc2c(c1)oc(=O)c1c2cccc1)NS(=O)(=O)c1ccc(cc1)C)C
CC(C@H)((C@H)(C(=O)Oc1ccc2c(c1)oc(=O)c1c2cccc1)NS(=O)(=O)c1ccc(cc1)C)C
CCC(C)C(C(=O)OC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2)NS(=O)(=O)C4=CC=C(C=C4)C
InChI=1SC26H25NO6Sc1417(3)24(2734(3031)1912916(2)101319)26(29)321811142120756822(20)25(28)3323(21)1518h515172427H4H213H3t1724+m1s1
MFCD10041138
ZINC000002094328
ZINC02094328
ZINC2094328

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Available files

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