Vitas-M small molecule compound
4-amino-6-(1,3-benzodioxol-5-yl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Catalog ID
STK523693
SMILES N#CC12C(C2(C#N)C(=NC21OCCO2)N)c1ccc2c(c1)OCO2
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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 C16H12N4O4 MW 324.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N4O4/c17-6-14-12(9-1-2-10-11(5-9)22-8-21-10)15(14,7-18)16(20-13(14)19)23-3-4-24-16/h1-2,5,12H,3-4,8H2,(H2,19,20)InChIKey
BKXNOGJDCAAKDM-UHFFFAOYSA-NSynonyms
2AMINO6(13BENZODIOXOL5YL)SPIRO(13DIOXOLANE243AZABICYCLO(310)HEX2ENE)15DICARBONITRILE
4amino6(13benzodioxol5yl)spiro(13dioxolane223azabicyclo(310)hex3ene)15dicarbonitrile
4amino6(13benzodioxol5yl)spiro(3azabicyclo(310)hex3ene22(13)dioxolane)15dicarbonitrile
C1COC2(O1)C3(C(C3(C(=N2)N)C#N)C4=CC5=C(C=C4)OCO5)C#N
InChI=1SC16H12N4O4c1761412(9121011(59)2282110)15(14718)16(2013(14)19)23342416h12512H348H2(H21920)
MFCD04096791
ZINC000015021500
ZINC000100205437
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