Vitas-M small molecule compound

2-amino-7,7-dimethyl-4-(4-methylphenyl)-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one

Catalog ID
STK514699
SMILES Cc1ccc(cc1)C1C2=C(OC(=C1S(=O)(=O)c1ccccc1)N)CC(CC2=O)(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 C24H25NO4S MW 423.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO4S/c1-15-9-11-16(12-10-15)20-21-18(26)13-24(2,3)14-19(21)29-23(25)22(20)30(27,28)17-7-5-4-6-8-17/h4-12,20H,13-14,25H2,1-3H3
InChIKey
IUJBHGBWEWPPQZ-UHFFFAOYSA-N
Synonyms

2amino3(benzenesulfonyl)77dimethyl4(4methylphenyl)68dihydro4Hchromen5one
2amino77dimethyl4(4methylphenyl)3(phenylsulfonyl)4678tetrahydro5Hchromen5one
CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)OC(=C2S(=O)(=O)C4=CC=CC=C4)N
InChI=1SC24H25NO4Sc11591116(121015)202118(26)1324(23)1419(21)2923(25)22(20)30(2728)177546817h41220H131425H213H3
MFCD06644956
ZINC000016741461
ZINC000016741462

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Available files

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