Vitas-M small molecule compound

3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate

Catalog ID
STL462358
SMILES CC[C@H]([C@@H](C(=O)Oc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1)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 C30H31NO6S MW 533.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO6S/c1-5-20(3)28(31-38(34,35)24-14-11-19(2)12-15-24)30(33)36-23-13-16-25-21(4)26(29(32)37-27(25)18-23)17-22-9-7-6-8-10-22/h6-16,18,20,28,31H,5,17H2,1-4H3/t20-,28+/m1/s1
InChIKey
LBKBGRLJVUBTRF-NGOKVRLYSA-N
Synonyms

(2S3R)3benzyl4methyl2oxo2Hchromen7yl3methyl2(4methylphenylsulfonamido)pentanoate
(3BENZYL4METHYL2OXOCHROMEN7YL)(2S3R)3METHYL2((4METHYLPHENYL)SULFONYLAMINO)PENTANOATE
3benzyl4methyl2oxo2Hchromen7ylN((4methylphenyl)sulfonyl)Lisoleucinate
CC(C@H)((C@@H)(C(=O)Oc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C)C
CC(C@H)((C@H)(C(=O)Oc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C)C
CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)NS(=O)(=O)C4=CC=C(C=C4)C
InChI=1SC30H31NO6Sc1520(3)28(3138(3435)24141119(2)121524)30(33)362313162521(4)26(29(32)3727(25)1823)172297681022h61618202831H517H214H3t2028+m1s1
MFCD10041133
ZINC000002147829
ZINC2147829

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Available files

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