Vitas-M small molecule compound
4-amino-6-(3,4-dimethoxyphenyl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Catalog ID
STK523702
SMILES COc1cc(ccc1OC)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 C17H16N4O4 MW 340.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O4/c1-22-11-4-3-10(7-12(11)23-2)13-15(8-18)14(20)21-17(16(13,15)9-19)24-5-6-25-17/h3-4,7,13H,5-6H2,1-2H3,(H2,20,21)InChIKey
QYCLOXBFDRXWNW-UHFFFAOYSA-NSynonyms
2AMINO6(34DIMETHOXYPHENYL)SPIRO(13DIOXOLANE243AZABICYCLO(310)HEX2ENE)15DICARBONITRILE
4amino6(34dimethoxyphenyl)spiro(13dioxolane223azabicyclo(310)hex3ene)15dicarbonitrile
4amino6(34dimethoxyphenyl)spiro(3azabicyclo(310)hex3ene22(13)dioxolane)15dicarbonitrile
COC1=C(C=C(C=C1)C2C3(C2(C4(N=C3N)OCCO4)C#N)C#N)OC
InChI=1SC17H16N4O4c122114310(712(11)232)1315(818)14(20)2117(16(1315)919)24562517h34713H56H212H3(H22021)
MFCD04097259
ZINC000015319179
ZINC000103010430
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