Vitas-M small molecule compound
7-phenyl-1-(pyridin-4-ylmethyl)-2-sulfanyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-4(1H)-one
Catalog ID
STK596770
SMILES Sc1nc(=O)c2c(n1Cc1ccncc1)NC(=NC2(C(F)(F)F)C(F)(F)F)c1ccccc1
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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 C20H13F6N5OS MW 485.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13F6N5OS/c21-19(22,23)18(20(24,25)26)13-15(28-14(30-18)12-4-2-1-3-5-12)31(17(33)29-16(13)32)10-11-6-8-27-9-7-11/h1-9H,10H2,(H,28,30)(H,29,32,33)InChIKey
OLDRKWSLAMLTBJ-UHFFFAOYSA-NSynonyms
879445-39-37phenyl1(pyridin4ylmethyl)2sulfanyl55bis(trifluoromethyl)58dihydropyrimido(45d)pyrimidin4(1H)one
7PHENYL1(PYRIDIN4YLMETHYL)2SULFANYLIDENE55BIS(TRIFLUOROMETHYL)8HPYRIMIDO(45D)PYRIMIDIN4ONE
879445393
C1=CC=C(C=C1)C2=NC(C3=C(N2)N(C(=S)NC3=O)CC4=CC=NC=C4)(C(F)(F)F)C(F)(F)F
InChI=1SC20H13F6N5OSc2119(2223)18(20(2425)26)1315(2814(3018)124213512)31(17(33)2916(13)32)101168279711h19H10H2(H2830)(H293233)
MFCD07204520
ZINC000009487385
ZINC9487385
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