Vitas-M small molecule compound
1-[2-(3,4-diethoxyphenyl)ethyl]-7-(thiophen-2-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STK679513
SMILES CCOc1cc(ccc1OCC)CCn1c(=O)[nH]c(=O)c2c1NC(=NC2(C(F)(F)F)C(F)(F)F)c1cccs1
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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 C24H22F6N4O4S MW 576.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22F6N4O4S/c1-3-37-14-8-7-13(12-15(14)38-4-2)9-10-34-19-17(20(35)32-21(34)36)22(23(25,26)27,24(28,29)30)33-18(31-19)16-6-5-11-39-16/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,31,33)(H,32,35,36)InChIKey
DCXWNPKJZITEKN-UHFFFAOYSA-NSynonyms
1(2(34diethoxyphenyl)ethyl)7(thiophen2yl)55bis(trifluoromethyl)58dihydropyrimido(45d)pyrimidine24(1H3H)dione
1(2(34DIETHOXYPHENYL)ETHYL)7THIOPHEN2YL55BIS(TRIFLUOROMETHYL)8HPYRIMIDO(45D)PYRIMIDINE24DIONE
CCOC1=C(C=C(C=C1)CCN2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC=CS4)(C(F)(F)F)C(F)(F)F)OCC
CCOc1cc(ccc1OCC)CCn1c(=O)(nH)c(=O)c2c1NC(=NC2(C(F)(F)F)C(F)(F)F)c1cccs1
InChI=1SC24H22F6N4O4Sc1337148713(1215(14)3842)910341917(20(35)3221(34)36)22(23(2526)2724(2829)30)3318(3119)1665113916h581112H34910H212H3(H3133)(H323536)
MFCD03763673
ZINC000000720155
ZINC720155
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