Vitas-M small molecule compound
4-amino-6-(3-methoxyphenyl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Catalog ID
STK523700
SMILES COc1cccc(c1)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 C16H14N4O3 MW 310.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O3/c1-21-11-4-2-3-10(7-11)12-14(8-17)13(19)20-16(15(12,14)9-18)22-5-6-23-16/h2-4,7,12H,5-6H2,1H3,(H2,19,20)InChIKey
UBYHRJXKBPDDTK-UHFFFAOYSA-NSynonyms
2AMINO6(3METHOXYPHENYL)SPIRO(13DIOXOLANE243AZABICYCLO(310)HEX2ENE)15DICARBONITRILE
4amino6(3methoxyphenyl)spiro(13dioxolane223azabicyclo(310)hex3ene)15dicarbonitrile
4amino6(3methoxyphenyl)spiro(3azabicyclo(310)hex3ene22(13)dioxolane)15dicarbonitrile
COC1=CC=CC(=C1)C2C3(C2(C4(N=C3N)OCCO4)C#N)C#N
InChI=1SC16H14N4O3c1211142310(711)1214(817)13(19)2016(15(1214)918)22562316h24712H56H21H3(H21920)
MFCD04096719
ZINC000015319197
ZINC000103010488
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