Vitas-M small molecule compound
(5Z)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Catalog ID
STL056234
SMILES OC1=NC(=O)/C(=C(\NCc2ccc3c(c2)OCO3)/C)/C(=N1)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 C14H13N3O5 MW 303.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O5/c1-7(11-12(18)16-14(20)17-13(11)19)15-5-8-2-3-9-10(4-8)22-6-21-9/h2-4,15H,5-6H2,1H3,(H2,16,17,18,19,20)InChIKey
KWNNIBQQIGMZKE-UHFFFAOYSA-NSynonyms
(5Z)5(1((13benzodioxol5ylmethyl)amino)ethylidene)26dihydroxypyrimidin4(5H)one
5(1(13BENZODIOXOL5YLMETHYLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CC(=C1C(=O)NC(=O)NC1=O)NCC2=CC3=C(C=C2)OCO3
InChI=1SC14H13N3O5c17(1112(18)1614(20)1713(11)19)155823910(48)226219h2415H56H21H3(H21617181920)
MFCD05725426
OC1=NC(=O)C(=C(NCc2ccc3c(c2)OCO3)C)C(=N1)O
ZINC000101087162
ZINC101087162
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