Vitas-M small molecule compound

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

Catalog ID
STL462399
SMILES CC[C@H]([C@@H](C(=O)Oc1ccc2c(c1C)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 C27H27NO6S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO6S/c1-5-17(3)24(28-35(31,32)19-12-10-16(2)11-13-19)27(30)33-23-15-14-21-20-8-6-7-9-22(20)26(29)34-25(21)18(23)4/h6-15,17,24,28H,5H2,1-4H3/t17-,24+/m1/s1
InChIKey
XHGOLVBCJCMCNG-OSPHWJPCSA-N
Synonyms

(2S3R)4methyl6oxo6Hbenzo(c)chromen3yl3methyl2(4methylphenylsulfonamido)pentanoate
(4METHYL6OXOBENZO(C)CHROMEN3YL)(2S3R)3METHYL2((4METHYLPHENYL)SULFONYLAMINO)PENTANOATE
4methyl6oxo6Hbenzo(c)chromen3ylN((4methylphenyl)sulfonyl)Lisoleucinate
CC(C@H)((C@@H)(C(=O)Oc1ccc2c(c1C)oc(=O)c1c2cccc1)NS(=O)(=O)c1ccc(cc1)C)C
CC(C@H)((C@H)(C(=O)Oc1ccc2c(c1C)oc(=O)c1c2cccc1)NS(=O)(=O)c1ccc(cc1)C)C
CCC(C)C(C(=O)OC1=C(C2=C(C=C1)C3=CC=CC=C3C(=O)O2)C)NS(=O)(=O)C4=CC=C(C=C4)C
InChI=1SC27H27NO6Sc1517(3)24(2835(3132)19121016(2)111319)27(30)332315142120867922(20)26(29)3425(21)18(23)4h615172428H5H214H3t1724+m1s1
MFCD10567536
ZINC000002094622
ZINC02094622
ZINC2094622

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Available files

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