Vitas-M small molecule compound

methyl 3-[1,6,7-trimethyl-2,4-dioxo-8-(2-phenylethyl)-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate

Catalog ID
STK853196
SMILES COC(=O)CCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)CCc1ccccc1

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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 C22H25N5O4 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O4/c1-14-15(2)27-18-19(23-21(27)25(14)12-10-16-8-6-5-7-9-16)24(3)22(30)26(20(18)29)13-11-17(28)31-4/h5-9H,10-13H2,1-4H3
InChIKey
YCKOHECYGKCQOH-UHFFFAOYSA-N
Synonyms
896838-12-3
896838123
CC1=C(N2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CCC(=O)OC)C)C
InChI=1SC22H25N5O4c11415(2)271819(2321(27)25(14)1210168657916)24(3)22(30)26(20(18)29)131117(28)314h59H1013H214H3
methyl3(167trimethyl24dioxo8(2phenylethyl)1248tetrahydro3Himidazo(21f)purin3yl)propanoate
methyl3(167trimethyl24dioxo8phenethyl1Himidazo(21f)purin3(2H4H8H)yl)propanoate
methyl3(478trimethyl13dioxo6(2phenylethyl)purino(78a)imidazol2yl)propanoate
METHYL3(478TRIMETHYL13DIOXO6PHENETHYLPURINO(78A)IMIDAZOL2YL)PROPANOATE
MFCD06600397
ZINC000012373987
ZINC12373987

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Available files

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