Vitas-M small molecule compound
1-(2-phenylethyl)-3-thioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Catalog ID
STK037689
SMILES N#Cc1c(=S)[nH]c(c2c1CCCC2)CCc1ccccc1
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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 C18H18N2S MW 294.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2S/c19-12-16-14-8-4-5-9-15(14)17(20-18(16)21)11-10-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11H2,(H,20,21)InChIKey
OEEZBYIVAMHSRJ-UHFFFAOYSA-NSynonyms
385787-60-01(2phenylethyl)3sulfanylidene5678tetrahydro2Hisoquinoline4carbonitrile
1(2phenylethyl)3thioxo235678hexahydroisoquinoline4carbonitrile
C1CCC2=C(C(=S)NC(=C2C1)CCC3=CC=CC=C3)C#N
InChI=1SC18H18N2Sc19121614845915(14)17(2018(16)21)1110136213713h1367H45811H2(H2021)
MFCD03936379
N#Cc1c(=S)(nH)c(c2c1CCCC2)CCc1ccccc1
STK037689
ZINC000000403741
ZINC00403741
ZINC403741
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