Vitas-M small molecule compound

2-amino-4,4-bis(ethylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Catalog ID
STK781842
SMILES CCSC1(SCC)N=C(C2(C1(C#N)C2c1ccc(c(c1OC)OC)OC)C#N)N

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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 C20H24N4O3S2 MW 432.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O3S2/c1-6-28-20(29-7-2)19(11-22)16(18(19,10-21)17(23)24-20)12-8-9-13(25-3)15(27-5)14(12)26-4/h8-9,16H,6-7H2,1-5H3,(H2,23,24)
InChIKey
JQPWBOSVYPFINP-UHFFFAOYSA-N
Synonyms

2amino44bis(ethylsulfanyl)6(234trimethoxyphenyl)3azabicyclo(310)hex2ene15dicarbonitrile
2AMINO44BIS(ETHYLTHIO)6(234TRIMETHOXYPHENYL)3AZABICYCLO(310)HEX2ENE15DICARBONITRILE
2AMINO44DIETHYLTHIO6(234TRIMETHOXYPHENYL)3AZABICYCLO(310)HEX2ENE15DICARBONITRILE
4AMINO22BIS(ETHYLSULFANYL)6(234TRIMETHOXYPHENYL)3AZABICYCLO(310)HEX3ENE15DICARBONITRILE
4AMINO22BIS(ETHYLTHIO)6(234TRIMETHOXYPHENYL)3AZABICYCLO(310)HEX3ENE15DICARBONITRILE
4AZANYL22BIS(ETHYLSULFANYL)6(234TRIMETHOXYPHENYL)3AZABICYCLO(310)HEX3ENE15DICARBONITRILE
CCSC1(C2(C(C2(C(=N1)N)C#N)C3=C(C(=C(C=C3)OC)OC)OC)C#N)SCC
InChI=1SC20H24N4O3S2c162820(2972)19(1122)16(18(191021)17(23)2420)128913(253)15(275)14(12)264h8916H67H215H3(H22324)
MFCD04097180
ZINC000102977139
ZINC000195447850

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.