Vitas-M small molecule compound

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

Catalog ID
STL126611
SMILES CC(c1ccccc1)Nc1ncc2c(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 C21H17N5O4 MW 403.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4/c1-12(13-5-3-2-4-6-13)23-20-22-10-15-18(24-20)25-21(28)26(19(15)27)14-7-8-16-17(9-14)30-11-29-16/h2-10,12H,11H2,1H3,(H2,22,23,24,25,28)
InChIKey
RHJGNTMNUSINMS-UHFFFAOYSA-N
Synonyms

3(13benzodioxol5yl)7((1phenylethyl)amino)pyrimido(45d)pyrimidine24(1H3H)dione
6(13benzodioxol5yl)2(1phenylethylamino)8Hpyrimido(45d)pyrimidine57dione
CC(C1=CC=CC=C1)NC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5
CC(c1ccccc1)Nc1ncc2c(n1)(nH)c(=O)n(c2=O)c1ccc2c(c1)OCO2
InChI=1SC21H17N5O4c112(135324613)232022101518(2420)2521(28)26(19(15)27)14781617(914)30112916h21012H11H21H3(H22223242528)
MFCD20739240
ZINC000102331742
ZINC000102331746

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Available files

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