Vitas-M small molecule compound

[1-methyl-10-(4-methylphenyl)-2,4-dioxo-1,2,4,6,7,8,9,10-octahydro-3H-[1,3]diazepino[2,1-f]purin-3-yl]acetic acid

Catalog ID
STL349675
SMILES OC(=O)Cn1c(=O)n(C)c2c(c1=O)n1CCCCN(c1n2)c1ccc(cc1)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 C19H21N5O4 MW 383.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O4/c1-12-5-7-13(8-6-12)22-9-3-4-10-23-15-16(20-18(22)23)21(2)19(28)24(17(15)27)11-14(25)26/h5-8H,3-4,9-11H2,1-2H3,(H,25,26)
InChIKey
JGAVPESPGZMFAW-UHFFFAOYSA-N
Synonyms
383377-41-1
(1methyl10(4methylphenyl)24dioxo124678910octahydro3H(13)diazepino(21f)purin3yl)aceticacid
2(1METHYL10(4METHYLPHENYL)24DIOXO135TRIHYDRO6H7H8H9H13DIAZAPERHYDROEPINO(12H)PURIN3YL)ACETICACID
2(1methyl10(4methylphenyl)24dioxo6789tetrahydropurino(78a)(13)diazepin3yl)aceticacid
2(1methyl24dioxo10(ptolyl)78910tetrahydro1H(13)diazepino(21f)purin3(2H4H6H)yl)aceticacid
383377411
CC1=CC=C(C=C1)N2CCCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)O
InChI=1SC19H21N5O4c1125713(8612)2293410231516(2018(22)23)21(2)19(28)24(17(15)27)1114(25)26h58H34911H212H3(H2526)
MFCD01090643
ZINC000001280566
ZINC1280566

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Available files

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