Vitas-M small molecule compound
(5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL372549
SMILES Cc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)N(C1=O)Cc1ccc2c(c1)OCO2
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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 C26H23N3O5 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5/c1-15-4-7-20(8-5-15)29-16(2)10-19(17(29)3)12-21-24(30)27-26(32)28(25(21)31)13-18-6-9-22-23(11-18)34-14-33-22/h4-12H,13-14H2,1-3H3,(H,27,30,32)/b21-12+InChIKey
BUEUFCXHENMOAK-CIAFOILYSA-NSynonyms
(5E)1(13benzodioxol5ylmethyl)5((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)pyrimidine246(1H3H5H)trione
(5E)1(13benzodioxol5ylmethyl)5((25dimethyl1(4methylphenyl)pyrrol3yl)methylidene)13diazinane246trione
CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC5=C(C=C4)OCO5)C
Cc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)Cc1ccc2c(c1)OCO2
InChI=1SC26H23N3O5c1154720(8515)2916(2)1019(17(29)3)122124(30)2726(32)28(25(21)31)1318692223(1118)34143322h412H1314H213H3(H273032)b2112+
MFCD28950965
ZINC000096234412
ZINC96234412
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