Vitas-M small molecule compound
4-amino-6-(4-ethoxyphenyl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Catalog ID
STK523696
SMILES CCOc1ccc(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 C17H16N4O3 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O3/c1-2-22-12-5-3-11(4-6-12)13-15(9-18)14(20)21-17(16(13,15)10-19)23-7-8-24-17/h3-6,13H,2,7-8H2,1H3,(H2,20,21)InChIKey
PDTFYYAMXBIZON-UHFFFAOYSA-NSynonyms
2AMINO6(4ETHOXYPHENYL)SPIRO(13DIOXOLANE243AZABICYCLO(310)HEX2ENE)15DICARBONITRILE
4amino6(4ethoxyphenyl)spiro(13dioxolane223azabicyclo(310)hex3ene)15dicarbonitrile
4amino6(4ethoxyphenyl)spiro(3azabicyclo(310)hex3ene22(13)dioxolane)15dicarbonitrile
CCOC1=CC=C(C=C1)C2C3(C2(C4(N=C3N)OCCO4)C#N)C#N
InChI=1SC17H16N4O3c1222125311(4612)1315(918)14(20)2117(16(1315)1019)23782417h3613H278H21H3(H22021)
MFCD04096737
ZINC000015321079
ZINC000103014397
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