Vitas-M small molecule compound
2-(4-tert-butylphenyl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
Catalog ID
STK690961
SMILES N#CC1=C(C)NC(=NC1(C(F)(F)F)C(F)(F)F)c1ccc(cc1)C(C)(C)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 C18H17F6N3 MW 389.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F6N3/c1-10-13(9-25)16(17(19,20)21,18(22,23)24)27-14(26-10)11-5-7-12(8-6-11)15(2,3)4/h5-8H,1-4H3,(H,26,27)InChIKey
IFZGQHNTMHFNAC-UHFFFAOYSA-NSynonyms
2(4tertbutylphenyl)6methyl44bis(trifluoromethyl)14dihydropyrimidine5carbonitrile
2(4tertbutylphenyl)6methyl44bis(trifluoromethyl)1Hpyrimidine5carbonitrile
CC1=C(C(N=C(N1)C2=CC=C(C=C2)C(C)(C)C)(C(F)(F)F)C(F)(F)F)C#N
InChI=1SC18H17F6N3c11013(925)16(17(1920)2118(2223)24)2714(2610)115712(8611)15(23)4h58H14H3(H2627)
MFCD09064126
ZINC000012416462
ZINC12416462
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