Vitas-M small molecule compound

1-(4-methoxyphenyl)-7-(2-methylpropyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione

Catalog ID
STK771830
SMILES COc1ccc(cc1)n1c(=O)[nH]c(=O)c2c1NC(=NC2(C(F)(F)F)C(F)(F)F)CC(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 C19H18F6N4O3 MW 464.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F6N4O3/c1-9(2)8-12-26-14-13(17(28-12,18(20,21)22)19(23,24)25)15(30)27-16(31)29(14)10-4-6-11(32-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,26,28)(H,27,30,31)
InChIKey
BMUXUMXLIIOZMM-UHFFFAOYSA-N
Synonyms

1(4methoxyphenyl)7(2methylpropyl)55bis(trifluoromethyl)58dihydropyrimido(45d)pyrimidine24(1H3H)dione
1(4METHOXYPHENYL)7(2METHYLPROPYL)55BIS(TRIFLUOROMETHYL)8HPYRIMIDO(45D)PYRIMIDINE24DIONE
7ISOBUTYL1(4METHOXYPHENYL)55BIS(TRIFLUOROMETHYL)58DIHYDROPYRIMIDO(45D)PYRIMIDINE24(1H3H)DIONE
CC(C)CC1=NC(C2=C(N1)N(C(=O)NC2=O)C3=CC=C(C=C3)OC)(C(F)(F)F)C(F)(F)F
COc1ccc(cc1)n1c(=O)(nH)c(=O)c2c1NC(=NC2(C(F)(F)F)C(F)(F)F)CC(C)C
InChI=1SC19H18F6N4O3c19(2)812261413(17(281218(2021)22)19(2324)25)15(30)2716(31)29(14)104611(323)7510h479H8H213H3(H2628)(H273031)
MFCD03767670
ZINC000008682841
ZINC08682841
ZINC8682841

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.