Vitas-M small molecule compound
1-benzyl-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STK769791
SMILES CC1=NC(c2c(N1)n(Cc1ccccc1)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F
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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 C16H12F6N4O2 MW 406.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12F6N4O2/c1-8-23-11-10(14(25-8,15(17,18)19)16(20,21)22)12(27)24-13(28)26(11)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,23,25)(H,24,27,28)InChIKey
SVCFEQCBHDGSOU-UHFFFAOYSA-NSynonyms
1benzyl7methyl55bis(trifluoromethyl)58dihydropyrimido(45d)pyrimidine24(1H3H)dione
1BENZYL7METHYL55BIS(TRIFLUOROMETHYL)8HPYRIMIDO(45D)PYRIMIDINE24DIONE
CC1=NC(C2=C(N1)N(C(=O)NC2=O)CC3=CC=CC=C3)(C(F)(F)F)C(F)(F)F
CC1=NC(c2c(N1)n(Cc1ccccc1)c(=O)(nH)c2=O)(C(F)(F)F)C(F)(F)F
InChI=1SC16H12F6N4O2c18231110(14(25815(1718)19)16(2021)22)12(27)2413(28)26(11)79532469h26H7H21H3(H2325)(H242728)
MFCD03696287
ZINC000019848609
ZINC19848609
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