Vitas-M small molecule compound
3-amino-7-benzyl-2-methyl-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Catalog ID
STL344045
SMILES N#Cc1c2CCC(Cc2c(=S)n(c1N)C)Cc1ccccc1
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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 C18H19N3S MW 309.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3S/c1-21-17(20)16(11-19)14-8-7-13(10-15(14)18(21)22)9-12-5-3-2-4-6-12/h2-6,13H,7-10,20H2,1H3InChIKey
JICKSBVCPMZRFD-UHFFFAOYSA-NSynonyms
846030-76-03amino7benzyl2methyl1sulfanylidene5678tetrahydroisoquinoline4carbonitrile
3amino7benzyl2methyl1thioxo125678hexahydroisoquinoline4carbonitrile
846030760
CN1C(=C(C2=C(C1=S)CC(CC2)CC3=CC=CC=C3)C#N)N
InChI=1SC18H19N3Sc12117(20)16(1119)148713(1015(14)18(21)22)9125324612h2613H71020H21H3
MFCD04172640
ZINC000000539614
ZINC000000539615
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