Vitas-M small molecule compound

ethyl 6-amino-5-cyano-2-{[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)methyl]sulfanyl}-4-(3,4-dimethoxyphenyl)-4H-pyran-3-carboxylate

Catalog ID
STK548761
SMILES CCOC(=O)C1=C(SCc2nc(CC)c3c(c2C#N)CCCC3)OC(=C(C1c1ccc(c(c1)OC)OC)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 C30H32N4O5S MW 560.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O5S/c1-5-22-19-10-8-7-9-18(19)20(14-31)23(34-22)16-40-30-27(29(35)38-6-2)26(21(15-32)28(33)39-30)17-11-12-24(36-3)25(13-17)37-4/h11-13,26H,5-10,16,33H2,1-4H3
InChIKey
JXLYNVBFDNNLBV-UHFFFAOYSA-N
Synonyms

CCC1=C2CCCCC2=C(C(=N1)CSC3=C(C(C(=C(O3)N)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)OCC)C#N
ethyl6amino5cyano2(((4cyano1ethyl5678tetrahydroisoquinolin3yl)methyl)sulfanyl)4(34dimethoxyphenyl)4Hpyran3carboxylate
ethyl6amino5cyano2(((4cyano1ethyl5678tetrahydroisoquinolin3yl)methyl)thio)4(34dimethoxyphenyl)4Hpyran3carboxylate
ethyl6amino5cyano2((4cyano1ethyl5678tetrahydroisoquinolin3yl)methylsulfanyl)4(34dimethoxyphenyl)4Hpyran3carboxylate
InChI=1SC30H32N4O5Sc1522191087918(19)20(1431)23(3422)16403027(29(35)3862)26(21(1532)28(33)3930)17111224(363)25(1317)374h111326H5101633H214H3
MFCD03663582
ZINC000053336263
ZINC000102451629

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Available files

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