Vitas-M small molecule compound

methyl 6-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Catalog ID
STK956115
SMILES COC(=O)C1=C(C)OC(=C(C1c1cc(CSc2ccc(cc2)Cl)c(cc1C)C)C#N)N

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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 C24H23ClN2O3S MW 454.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClN2O3S/c1-13-9-14(2)19(10-16(13)12-31-18-7-5-17(25)6-8-18)22-20(11-26)23(27)30-15(3)21(22)24(28)29-4/h5-10,22H,12,27H2,1-4H3
InChIKey
MVIKBCWWWKTBQK-UHFFFAOYSA-N
Synonyms
438222-31-2
438222312
CC1=CC(=C(C=C1C2C(=C(OC(=C2C(=O)OC)C)N)C#N)CSC3=CC=C(C=C3)Cl)C
InChI=1SC24H23ClN2O3Sc113914(2)19(1016(13)1231187517(25)6818)2220(1126)23(27)3015(3)21(22)24(28)294h51022H1227H214H3
methyl6amino4(5(((4chlorophenyl)sulfanyl)methyl)24dimethylphenyl)5cyano2methyl4Hpyran3carboxylate
METHYL6AMINO4(5((4CHLOROPHENYL)SULFANYLMETHYL)24DIMETHYLPHENYL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
MFCD03074598
ZINC000000650889
ZINC000000650891

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Available files

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