Vitas-M small molecule compound

3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate

Catalog ID
STL462476
SMILES CC[C@H]([C@@H](C(=O)Oc1ccc2c(c1C)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 C31H33NO6S MW 547.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33NO6S/c1-6-20(3)28(32-39(35,36)24-14-12-19(2)13-15-24)31(34)37-27-17-16-25-21(4)26(18-23-10-8-7-9-11-23)30(33)38-29(25)22(27)5/h7-17,20,28,32H,6,18H2,1-5H3/t20-,28+/m1/s1
InChIKey
OGGGNHVDFFTDDP-NGOKVRLYSA-N
Synonyms

(2S3R)3benzyl48dimethyl2oxo2Hchromen7yl3methyl2(4methylphenylsulfonamido)pentanoate
(3BENZYL48DIMETHYL2OXOCHROMEN7YL)(2S3R)3METHYL2((4METHYLPHENYL)SULFONYLAMINO)PENTANOATE
3benzyl48dimethyl2oxo2Hchromen7ylN((4methylphenyl)sulfonyl)Lisoleucinate
CC(C@H)((C@@H)(C(=O)Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C)C
CC(C@H)((C@H)(C(=O)Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C)C
CCC(C)C(C(=O)OC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C)NS(=O)(=O)C4=CC=C(C=C4)C
InChI=1SC31H33NO6Sc1620(3)28(3239(3536)24141219(2)131524)31(34)372717162521(4)26(1823108791123)30(33)3829(25)22(27)5h717202832H618H215H3t2028+m1s1
MFCD10041155
ZINC000002092794
ZINC2092794

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Available files

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