Vitas-M small molecule compound
1-(4-chlorophenyl)-3-thioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Catalog ID
STK066696
SMILES N#Cc1c(=S)[nH]c(c2c1CCCC2)c1ccc(cc1)Cl
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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 C16H13ClN2S MW 300.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2S/c17-11-7-5-10(6-8-11)15-13-4-2-1-3-12(13)14(9-18)16(20)19-15/h5-8H,1-4H2,(H,19,20)InChIKey
XLSVRZLHGBJWLG-UHFFFAOYSA-NSynonyms
129340-02-91(4chlorophenyl)3sulfanylidene5678tetrahydro2Hisoquinoline4carbonitrile
1(4chlorophenyl)3thioxo235678hexahydroisoquinoline4carbonitrile
129340029
C1CCC2=C(NC(=S)C(=C2C1)C#N)C3=CC=C(C=C3)Cl
InChI=1SC16H13ClN2Sc17117510(6811)1513421312(13)14(918)16(20)1915h58H14H2(H1920)
MFCD05861407
N#Cc1c(=S)(nH)c(c2c1CCCC2)c1ccc(cc1)Cl
STK066696
ZINC000002553894
ZINC02553894
ZINC2553894
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