Vitas-M small molecule compound
methyl 5-({[4-cyano-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}methyl)furan-2-carboxylate
Catalog ID
STK604166
SMILES COC(=O)c1ccc(o1)CSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2
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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-26-21(25)18-7-6-14(28-18)13-29-20-17(12-22)15-4-2-3-5-16(15)19(23-20)24-8-10-27-11-9-24/h6-7H,2-5,8-11,13H2,1H3InChIKey
JRPPTTFVWKIPDB-UHFFFAOYSA-NSynonyms
754190-09-5754190095
COC(=O)C1=CC=C(O1)CSC2=NC(=C3CCCCC3=C2C#N)N4CCOCC4
InChI=1SC21H23N3O4Sc12621(25)187614(2818)13292017(1222)15423516(15)19(2320)248102711924h67H2581113H21H3
methyl5(((4cyano1(morpholin4yl)5678tetrahydroisoquinolin3yl)sulfanyl)methyl)furan2carboxylate
methyl5(((4cyano1morpholino5678tetrahydroisoquinolin3yl)thio)methyl)furan2carboxylate
methyl5((4cyano1morpholin4yl5678tetrahydroisoquinolin3yl)sulfanylmethyl)furan2carboxylate
MFCD08284959
ZINC000020572844
ZINC20572844
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