Vitas-M small molecule compound
methyl 2-({[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoate
Catalog ID
STK922320
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)CSc1nc(CC)c2c(c1C#N)CCCC2)OC
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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 C24H27N3O5S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O5S/c1-5-18-15-9-7-6-8-14(15)17(12-25)23(27-18)33-13-22(28)26-19-11-21(31-3)20(30-2)10-16(19)24(29)32-4/h10-11H,5-9,13H2,1-4H3,(H,26,28)InChIKey
AQLWXGXTTVEIFB-UHFFFAOYSA-NSynonyms
938033-54-6938033546
CCC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC)C#N
InChI=1SC24H27N3O5Sc151815976814(15)17(1225)23(2718)331322(28)26191121(313)20(302)1016(19)24(29)324h1011H5913H214H3(H2628)
methyl2((((4cyano1ethyl5678tetrahydroisoquinolin3yl)sulfanyl)acetyl)amino)45dimethoxybenzoate
methyl2((2((4cyano1ethyl5678tetrahydroisoquinolin3yl)sulfanyl)acetyl)amino)45dimethoxybenzoate
MFCD08532795
ZINC000012249702
ZINC12249702
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