Vitas-M small molecule compound

[7-(2,6-dichlorobenzyl)-3,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro[1,2,4]triazino[3,4-f]purin-1(4H)-yl]acetic acid

Catalog ID
STK625078
SMILES OC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1c(Cl)cccc1Cl

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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 C18H16Cl2N6O4 MW 451.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16Cl2N6O4/c1-9-6-24-14-15(21-17(24)26(22-9)8-13(27)28)23(2)18(30)25(16(14)29)7-10-11(19)4-3-5-12(10)20/h3-5H,6-8H2,1-2H3,(H,27,28)
InChIKey
CJCPJZUHFVVXGS-UHFFFAOYSA-N
Synonyms
923213-52-9
(7(26dichlorobenzyl)39dimethyl68dioxo6789tetrahydro(124)triazino(34f)purin1(4H)yl)aceticacid
2(7((26dichlorophenyl)methyl)39dimethyl68dioxo4Hpurino(87c)(124)triazin1yl)aceticacid
2(7((26DICHLOROPHENYL)METHYL)39DIMETHYL68DIOXO579TRIHYDRO4H124TRIAZINO(43H)PURINYL)ACETICACID
2(7(26dichlorobenzyl)39dimethyl68dioxo6789tetrahydro(124)triazino(34f)purin1(4H)yl)aceticacid
923213529
CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=C(C=CC=C4Cl)Cl)CC(=O)O
InChI=1SC18H16Cl2N6O4c196241415(2117(24)26(229)813(27)28)23(2)18(30)25(16(14)29)71011(19)43512(10)20h35H68H212H3(H2728)
MFCD09000081
ZINC000008992337
ZINC8992337

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Available files

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