Vitas-M small molecule compound
(5E)-1-(4-fluorobenzyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK768409
SMILES Fc1ccc(cc1)CN1C(=O)NC(=O)/C(=C\c2cc3OCOc3cc2[N+](=O)[O-])/C1=O
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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 C19H12FN3O7 MW 413.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12FN3O7/c20-12-3-1-10(2-4-12)8-22-18(25)13(17(24)21-19(22)26)5-11-6-15-16(30-9-29-15)7-14(11)23(27)28/h1-7H,8-9H2,(H,21,24,26)/b13-5+InChIKey
OXQVHAFMICJWQS-WLRTZDKTSA-NSynonyms
(5E)1((4FLUOROPHENYL)METHYL)5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4fluorobenzyl)5((6nitro13benzodioxol5yl)methylidene)pyrimidine246(1H3H5H)trione
C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=C(C=C4)F)(N+)(=O)(O)
Fc1ccc(cc1)CN1C(=O)NC(=O)C(=Cc2cc3OCOc3cc2(N+)(=O)(O))C1=O
InChI=1SC19H12FN3O7c20123110(2412)82218(25)13(17(24)2119(22)26)51161516(3092915)714(11)23(27)28h17H89H2(H212426)b135+
MFCD03307967
ZINC000001070879
ZINC1070879
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