Vitas-M small molecule compound
[(1-cyano-4-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl](phenyl)acetic acid
Catalog ID
STL146170
SMILES CCc1c(SC(c2ccccc2)C(=O)O)nc(c2c1CCCC2)C#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 C20H20N2O2S MW 352.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O2S/c1-2-14-15-10-6-7-11-16(15)17(12-21)22-19(14)25-18(20(23)24)13-8-4-3-5-9-13/h3-5,8-9,18H,2,6-7,10-11H2,1H3,(H,23,24)InChIKey
FNWNPSVHUSCSNM-UHFFFAOYSA-NSynonyms
1351802-68-0((1cyano4ethyl5678tetrahydroisoquinolin3yl)sulfanyl)(phenyl)aceticacid
1351802680
2((1cyano4ethyl5678tetrahydroisoquinolin3yl)sulfanyl)2phenylaceticacid
CCC1=C2CCCCC2=C(N=C1SC(C3=CC=CC=C3)C(=O)O)C#N
InChI=1SC20H20N2O2Sc12141510671116(15)17(1221)2219(14)2518(20(23)24)138435913h358918H2671011H21H3(H2324)
MFCD20753539
ZINC000071328738
ZINC000071328739
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