Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-5-{3-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK013319
SMILES COc1cc(ccc1OCc1cccc(c1)C)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
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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 C26H21ClN2O5 MW 476.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O5/c1-16-4-3-5-18(12-16)15-34-22-11-6-17(14-23(22)33-2)13-21-24(30)28-26(32)29(25(21)31)20-9-7-19(27)8-10-20/h3-14H,15H2,1-2H3,(H,28,30,32)/b21-13+InChIKey
WHBLEHVMJGQRTL-FYJGNVAPSA-NSynonyms
(5E)1(4CHLOROPHENYL)5((3METHOXY4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4CHLOROPHENYL)5(3METHOXY4((3METHYLBENZYL)OXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=CC=C1)COC2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)OC
COc1cc(ccc1OCc1cccc(c1)C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC26H21ClN2O5c11643518(1216)15342211617(1423(22)332)132124(30)2826(32)29(25(21)31)209719(27)81020h314H15H212H3(H283032)b2113+
MFCD01655869
STK013319
ZINC000013940020
ZINC13940020
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