Vitas-M small molecule compound

3-(1,3-benzodioxol-5-yl)-7-[(4-propoxybenzyl)amino]pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione

Catalog ID
STL126591
SMILES CCCOc1ccc(cc1)CNc1ncc2c(n1)[nH]c(=O)n(c2=O)c1ccc2c(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 C23H21N5O5 MW 447.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O5/c1-2-9-31-16-6-3-14(4-7-16)11-24-22-25-12-17-20(26-22)27-23(30)28(21(17)29)15-5-8-18-19(10-15)33-13-32-18/h3-8,10,12H,2,9,11,13H2,1H3,(H2,24,25,26,27,30)
InChIKey
GTWBNPWDOJRNOG-UHFFFAOYSA-N
Synonyms

3(13benzodioxol5yl)7((4propoxybenzyl)amino)pyrimido(45d)pyrimidine24(1H3H)dione
6(13benzodioxol5yl)2((4propoxyphenyl)methylamino)8Hpyrimido(45d)pyrimidine57dione
CCCOC1=CC=C(C=C1)CNC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5
CCCOc1ccc(cc1)CNc1ncc2c(n1)(nH)c(=O)n(c2=O)c1ccc2c(c1)OCO2
InChI=1SC23H21N5O5c12931166314(4716)11242225121720(2622)2723(30)28(21(17)29)15581819(1015)33133218h381012H291113H21H3(H22425262730)
MFCD20739220
ZINC000102911738
ZINC102911738

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Available files

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