Vitas-M small molecule compound

ethyl (8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate

Catalog ID
STK595049
SMILES CCOC(=O)Cn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)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 C23H29ClN6O4 MW 488.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29ClN6O4/c1-5-34-19(31)14-30-18(25-21-20(30)22(32)27(4)23(33)26(21)3)13-28-8-10-29(11-9-28)17-12-16(24)7-6-15(17)2/h6-7,12H,5,8-11,13-14H2,1-4H3
InChIKey
QAIKJNBCDPPHML-UHFFFAOYSA-N
Synonyms
893946-26-4
893946264
CCOC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C
ethyl(8((4(5chloro2methylphenyl)piperazin1yl)methyl)13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetate
ethyl2(8((4(5chloro2methylphenyl)piperazin1yl)methyl)13dimethyl26dioxo23dihydro1Hpurin7(6H)yl)acetate
ETHYL2(8((4(5CHLORO2METHYLPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL26DIOXOPURIN7YL)ACETATE
ETHYL2(8((4(5CHLORO2METHYLPHENYL)PIPERAZINYL)METHYL)13DIMETHYL26DIOXO137TRIHYDROPURIN7YL)ACETATE
InChI=1SC23H29ClN6O4c153419(31)143018(252120(30)22(32)27(4)23(33)26(21)3)132881029(11928)171216(24)7615(17)2h6712H58111314H214H3
MFCD06608642
ZINC000057122067
ZINC57122067

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Available files

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