Vitas-M small molecule compound

8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl N-[(4-methylphenyl)sulfonyl]valinate

Catalog ID
STL466503
SMILES COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OC(=O)C(C(C)C)NS(=O)(=O)c1ccc(cc1)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 C27H27NO7S MW 509.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO7S/c1-15(2)24(28-36(31,32)19-9-6-16(3)7-10-19)27(30)34-23-13-12-21-20-11-8-18(33-5)14-22(20)26(29)35-25(21)17(23)4/h6-15,24,28H,1-5H3
InChIKey
HWEPWHCSZLPWBM-UHFFFAOYSA-N
Synonyms

(8METHOXY4METHYL6OXOBENZO(C)CHROMEN3YL)3METHYL2((4METHYLPHENYL)SULFONYLAMINO)BUTANOATE
(S)8methoxy4methyl6oxo6Hbenzo(c)chromen3yl3methyl2(4methylphenylsulfonamido)butanoate
8METHOXY4METHYL6OXO6HBENZO(C)CHROMEN3YLN((4METHYLPHENYL)SULFONYL)LVALINATE
8methoxy4methyl6oxo6Hbenzo(c)chromen3ylN((4methylphenyl)sulfonyl)valinate
CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=C(C3=C(C=C2)C4=C(C=C(C=C4)OC)C(=O)O3)C
COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OC(=O)(C@H)(C(C)C)NS(=O)(=O)c1ccc(cc1)C
InChI=1SC27H27NO7Sc115(2)24(2836(3132)199616(3)71019)27(30)34231312212011818(335)1422(20)26(29)3525(21)17(23)4h6152428H15H3
MFCD29650548
ZINC000002111875
ZINC000015955066

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Available files

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