Vitas-M small molecule compound
N-[1-benzyl-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide
Catalog ID
STK593768
SMILES O=C(c1cccnc1)NC1(C(=O)Nc2c1c(O)nc(=O)n2Cc1ccccc1)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 C20H14F3N5O4 MW 445.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14F3N5O4/c21-20(22,23)19(27-15(29)12-7-4-8-24-9-12)13-14(25-17(19)31)28(18(32)26-16(13)30)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,25,31)(H,27,29)(H,26,30,32)InChIKey
BTOHYXINWIXQDJ-UHFFFAOYSA-NSynonyms
844659-15-0844659150
C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CN=CC=C4
InChI=1SC20H14F3N5O4c2120(2223)19(2715(29)1274824912)1314(2517(19)31)28(18(32)2616(13)30)10115213611h19H10H2(H2531)(H2729)(H263032)
MFCD07206657
N(1BENZYL246TRIOXO5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDIN5YL)PYRIDINE3CARBOXAMIDE
N(1benzyl4hydroxy26dioxo5(trifluoromethyl)2567tetrahydro1Hpyrrolo(23d)pyrimidin5yl)pyridine3carboxamide
ZINC000009216073
ZINC000009216075
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