Vitas-M small molecule compound
7-[(1,3-benzodioxol-5-ylmethyl)amino]-3-(2-methoxyphenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STL127716
SMILES COc1ccccc1n1c(=O)[nH]c2c(c1=O)cnc(n2)NCc1ccc2c(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 C21H17N5O5 MW 419.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O5/c1-29-15-5-3-2-4-14(15)26-19(27)13-10-23-20(24-18(13)25-21(26)28)22-9-12-6-7-16-17(8-12)31-11-30-16/h2-8,10H,9,11H2,1H3,(H2,22,23,24,25,28)InChIKey
HCNWGHRKNBETTG-UHFFFAOYSA-NSynonyms
2(13benzodioxol5ylmethylamino)6(2methoxyphenyl)8Hpyrimido(45d)pyrimidine57dione
7((13benzodioxol5ylmethyl)amino)3(2methoxyphenyl)pyrimido(45d)pyrimidine24(1H3H)dione
COC1=CC=CC=C1N2C(=O)C3=CN=C(N=C3NC2=O)NCC4=CC5=C(C=C4)OCO5
COc1ccccc1n1c(=O)(nH)c2c(c1=O)cnc(n2)NCc1ccc2c(c1)OCO2
InChI=1SC21H17N5O5c12915532414(15)2619(27)13102320(2418(13)2521(26)28)22912671617(812)31113016h2810H911H21H3(H22223242528)
MFCD20740656
ZINC000067263804
ZINC67263804
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