Vitas-M small molecule compound
9-(4-fluorophenyl)-4-(2-methoxyethyl)-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione
Catalog ID
STK499293
SMILES COCCn1c(=O)[nH]c(=O)c2c1ncc1c2CC(CC1=O)c1ccc(cc1)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 C20H18FN3O4 MW 383.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN3O4/c1-28-7-6-24-18-17(19(26)23-20(24)27)14-8-12(9-16(25)15(14)10-22-18)11-2-4-13(21)5-3-11/h2-5,10,12H,6-9H2,1H3,(H,23,26,27)InChIKey
LWQSAWBZQWIABO-UHFFFAOYSA-NSynonyms
1030570-11-61030570116
9(4fluorophenyl)4(2methoxyethyl)910dihydro8Hpyrimido(45c)isoquinoline137trione
9(4fluorophenyl)4(2methoxyethyl)910dihydropyrimido(45c)isoquinoline137(2H4H8H)trione
COCCn1c(=O)(nH)c(=O)c2c1ncc1c2CC(CC1=O)c1ccc(cc1)F
COCCN1C2=NC=C3C(=C2C(=O)NC1=O)CC(CC3=O)C4=CC=C(C=C4)F
InChI=1SC20H18FN3O4c12876241817(19(26)2320(24)27)14812(916(25)15(14)102218)112413(21)5311h251012H69H21H3(H232627)
MFCD11083194
ZINC000019821165
ZINC000019821167
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