Vitas-M small molecule compound

3-(4-chlorophenyl)-1,7-bis(3-hydroxypropyl)-9-methyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione

Catalog ID
STK638760
SMILES OCCCN1N=C(Cn2c1nc1c2c(=O)n(c(=O)n1C)CCCO)c1ccc(cc1)Cl

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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 C20H23ClN6O4 MW 446.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN6O4/c1-24-17-16(18(30)25(20(24)31)8-2-10-28)26-12-15(13-4-6-14(21)7-5-13)23-27(9-3-11-29)19(26)22-17/h4-7,28-29H,2-3,8-12H2,1H3
InChIKey
FORZEKKJEYDWEH-UHFFFAOYSA-N
Synonyms
922686-93-9
3(4chlorophenyl)17bis(3hydroxypropyl)9methyl14dihydro(124)triazino(34f)purine68(7H9H)dione
3(4chlorophenyl)17bis(3hydroxypropyl)9methyl4Hpurino(87c)(124)triazine68dione
3(4chlorophenyl)17bis(3hydroxypropyl)9methyl79dihydro(124)triazino(34f)purine68(1H4H)dione
922686939
CN1C2=C(C(=O)N(C1=O)CCCO)N3CC(=NN(C3=N2)CCCO)C4=CC=C(C=C4)Cl
InChI=1SC20H23ClN6O4c1241716(18(30)25(20(24)31)821028)261215(134614(21)7513)2327(931129)19(26)2217h472829H23812H21H3
MFCD08014264
ZINC000009292045
ZINC09292045
ZINC9292045

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Available files

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