Vitas-M small molecule compound

7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate

Catalog ID
STL462446
SMILES CC[C@H]([C@@H](C(=O)Oc1cc(C)cc2c1c1CCCc1c(=O)o2)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 C26H29NO6S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO6S/c1-5-17(4)24(27-34(30,31)18-11-9-15(2)10-12-18)26(29)33-22-14-16(3)13-21-23(22)19-7-6-8-20(19)25(28)32-21/h9-14,17,24,27H,5-8H2,1-4H3/t17-,24+/m1/s1
InChIKey
UIVPMZPWCVSNAC-OSPHWJPCSA-N
Synonyms
1173666-66-4
(2S3R)7methyl4oxo1234tetrahydrocyclopenta(c)chromen9yl3methyl2(4methylphenylsulfonamido)pentanoate
(7METHYL4OXO23DIHYDRO1HCYCLOPENTA(C)CHROMEN9YL)(2S3R)3METHYL2((4METHYLPHENYL)SULFONYLAMINO)PENTANOATE
1173666664
7methyl4oxo1234tetrahydrocyclopenta(c)chromen9ylN((4methylphenyl)sulfonyl)Lisoleucinate
CC(C@H)((C@@H)(C(=O)Oc1cc(C)cc2c1c1CCCc1c(=O)o2)NS(=O)(=O)c1ccc(cc1)C)C
CCC(C)C(C(=O)OC1=CC(=CC2=C1C3=C(CCC3)C(=O)O2)C)NS(=O)(=O)C4=CC=C(C=C4)C
InChI=1SC26H29NO6Sc1517(4)24(2734(3031)1811915(2)101218)26(29)33221416(3)132123(22)1976820(19)25(28)3221h914172427H58H214H3t1724+m1s1
MFCD10041151
ZINC000002148746
ZINC02148746
ZINC2148746

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Available files

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