Vitas-M small molecule compound

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

Catalog ID
STL466508
SMILES CC(C(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 C25H27NO6S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO6S/c1-14(2)23(26-33(29,30)17-10-8-15(3)9-11-17)25(28)32-21-13-16(4)12-20-22(21)18-6-5-7-19(18)24(27)31-20/h8-14,23,26H,5-7H2,1-4H3
InChIKey
MKWJDKHJBOMBKU-UHFFFAOYSA-N
Synonyms

(7METHYL4OXO23DIHYDRO1HCYCLOPENTA(C)CHROMEN9YL)3METHYL2((4METHYLPHENYL)SULFONYLAMINO)BUTANOATE
(S)7methyl4oxo1234tetrahydrocyclopenta(c)chromen9yl3methyl2(4methylphenylsulfonamido)butanoate
7methyl4oxo1234tetrahydrocyclopenta(c)chromen9ylN((4methylphenyl)sulfonyl)valinate
CC((C@@H)(C(=O)Oc1cc(C)cc2c1c1CCCc1c(=O)o2)NS(=O)(=O)c1ccc(cc1)C)C
CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=CC(=CC3=C2C4=C(CCC4)C(=O)O3)C
InChI=1SC25H27NO6Sc114(2)23(2633(2930)1710815(3)91117)25(28)32211316(4)122022(21)1865719(18)24(27)3120h8142326H57H214H3
MFCD29650636
ZINC000002099098
ZINC000026771612

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Available files

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