Vitas-M small molecule compound

(5E)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2,3-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK169486
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1cc(n(c1C)c1ccc2c(c1)OCO2)C)c1cccc(c1C)C

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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/c1-14-6-5-7-21(16(14)3)29-25(31)20(24(30)27-26(29)32)11-18-10-15(2)28(17(18)4)19-8-9-22-23(12-19)34-13-33-22/h5-12H,13H2,1-4H3,(H,27,30,32)/b20-11+
InChIKey
ISOIURTWDJVKDJ-RGVLZGJSSA-N
Synonyms

(5E)5((1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(23DIMETHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
(5E)5((1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(23DIMETHYLPHENYL)13DIAZINANE246TRIONE
CC1=C(C(=CC=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC5=C(C=C4)OCO5)C)C(=O)NC2=O)C
InChI=1SC26H23N3O5c11465721(16(14)3)2925(31)20(24(30)2726(29)32)11181015(2)28(17(18)4)19892223(1219)34133322h512H13H214H3(H273032)b2011+
MFCD03714664
O=C1NC(=O)N(C(=O)C1=Cc1cc(n(c1C)c1ccc2c(c1)OCO2)C)c1cccc(c1C)C
ZINC000001137918
ZINC01137918
ZINC1137918

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Available files

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