Vitas-M small molecule compound
4-amino-6-[4-(methylsulfanyl)phenyl]spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Catalog ID
STK523694
SMILES CSc1ccc(cc1)C1C2(C1(C#N)C(=NC12OCCO1)N)C#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 C16H14N4O2S MW 326.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O2S/c1-23-11-4-2-10(3-5-11)12-14(8-17)13(19)20-16(15(12,14)9-18)21-6-7-22-16/h2-5,12H,6-7H2,1H3,(H2,19,20)InChIKey
GHMAZSADYOAIQY-UHFFFAOYSA-NSynonyms
2AMINO6(4METHYLSULFANYLPHENYL)SPIRO(13DIOXOLANE243AZABICYCLO(310)HEX2ENE)15DICARBONITRILE
4amino6(4(methylsulfanyl)phenyl)spiro(3azabicyclo(310)hex3ene22(13)dioxolane)15dicarbonitrile
4AMINO6(4(METHYLTHIO)PHENYL)SPIRO(3AZABICYCLO(310)HEX3ENE22(13)DIOXOLANE)15DICARBONITRILE
4amino6(4methylsulfanylphenyl)spiro(13dioxolane223azabicyclo(310)hex3ene)15dicarbonitrile
CSC1=CC=C(C=C1)C2C3(C2(C4(N=C3N)OCCO4)C#N)C#N
InChI=1SC16H14N4O2Sc123114210(3511)1214(817)13(19)2016(15(1214)918)21672216h2512H67H21H3(H21920)
MFCD04096881
ZINC000006576657
ZINC000102977997
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