Vitas-M small molecule compound

3-amino-2-(4-chlorophenyl)-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

Catalog ID
STK606507
SMILES N#Cc1c(N)n(c2ccc(cc2)Cl)c(=S)c2c1CCCC2

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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 C16H14ClN3S MW 315.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClN3S/c17-10-5-7-11(8-6-10)20-15(19)14(9-18)12-3-1-2-4-13(12)16(20)21/h5-8H,1-4,19H2
InChIKey
WYSGOOTWHINVMQ-UHFFFAOYSA-N
Synonyms
82972-85-8
3amino2(4chlorophenyl)1sulfanylidene5678tetrahydroisoquinoline4carbonitrile
3amino2(4chlorophenyl)1thioxo125678hexahydroisoquinoline4carbonitrile
82972858
C1CCC2=C(C1)C(=C(N(C2=S)C3=CC=C(C=C3)Cl)N)C#N
InChI=1SC16H14ClN3Sc17105711(8610)2015(19)14(918)12312413(12)16(20)21h58H1419H2
MFCD08291018
ZINC000005581095
ZINC05581095
ZINC5581095

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Available files

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