Vitas-M small molecule compound
3-amino-4-formyl-2-[2-(4-methylphenyl)-2-oxoethyl]cyclopent-3-ene-1,1,2-tricarbonitrile
Catalog ID
STK530187
SMILES O=CC1=C(N)C(C(C1)(C#N)C#N)(C#N)CC(=O)c1ccc(cc1)C
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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 C18H14N4O2 MW 318.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4O2/c1-12-2-4-13(5-3-12)15(24)7-18(11-21)16(22)14(8-23)6-17(18,9-19)10-20/h2-5,8H,6-7,22H2,1H3InChIKey
ODPRSEAMWUHPLN-UHFFFAOYSA-NSynonyms
3amino4formyl2(2(4methylphenyl)2oxoethyl)cyclopent3ene112tricarbonitrile
3amino4formyl2(2oxo2(ptolyl)ethyl)cyclopent3ene112tricarbonitrile
CC1=CC=C(C=C1)C(=O)CC2(C(=C(CC2(C#N)C#N)C=O)N)C#N
InChI=1SC18H14N4O2c1122413(5312)15(24)718(1121)16(22)14(823)617(18919)1020h258H6722H21H3
MFCD02234699
ZINC000004816119
ZINC000004816121
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