Vitas-M small molecule compound
2-amino-4,4-bis[(2-hydroxyethyl)sulfanyl]-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
Catalog ID
STK688802
SMILES OCCSC1(SCCO)N=C(C2(C1(C#N)C2c1cc(OC)c(c(c1)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 C20H24N4O5S2 MW 464.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O5S2/c1-27-13-8-12(9-14(28-2)15(13)29-3)16-18(10-21)17(23)24-20(30-6-4-25,31-7-5-26)19(16,18)11-22/h8-9,16,25-26H,4-7H2,1-3H3,(H2,23,24)InChIKey
RTRCUKIDCOIZQI-UHFFFAOYSA-NSynonyms
2amino44bis((2hydroxyethyl)sulfanyl)6(345trimethoxyphenyl)3azabicyclo(310)hex2ene15dicarbonitrile
2AMINO44BIS(2HYDROXYETHYLSULFANYL)6(345TRIMETHOXYPHENYL)3AZABICYCLO(310)HEX2ENE15DICARBONITRILE
4amino22bis(2hydroxyethylsulfanyl)6(345trimethoxyphenyl)3azabicyclo(310)hex3ene15dicarbonitrile
COC1=CC(=CC(=C1OC)OC)C2C3(C2(C(N=C3N)(SCCO)SCCO)C#N)C#N
InChI=1SC20H24N4O5S2c12713812(914(282)15(13)293)1618(1021)17(23)2420(306425317526)19(1618)1122h89162526H47H213H3(H22324)
MFCD07658658
ZINC000012418641
ZINC000103029249
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