Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
Catalog ID
STL360921
SMILES N#Cc1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc(c2c1CCCC2)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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-13-15-4-2-3-5-16(15)17(9-22)21(24-13)28-11-20(25)23-10-14-6-7-18-19(8-14)27-12-26-18/h6-8H,2-5,10-12H2,1H3,(H,23,25)InChIKey
XODUZAZMRIFTJI-UHFFFAOYSA-NSynonyms
607696-76-4607696764
CC1=C2CCCCC2=C(C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C#N
InChI=1SC21H21N3O3Sc11315423516(15)17(922)21(2413)281120(25)231014671819(814)27122618h68H251012H21H3(H2325)
MFCD03692550
N(13benzodioxol5ylmethyl)2((4cyano1methyl5678tetrahydroisoquinolin3yl)sulfanyl)acetamide
N(benzo(d)(13)dioxol5ylmethyl)2((4cyano1methyl5678tetrahydroisoquinolin3yl)thio)acetamide
ZINC000001471613
ZINC01471613
ZINC1471613
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