Vitas-M small molecule compound
methyl {4-[7-(2,4-dichlorobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]piperazin-1-yl}acetate
Catalog ID
STK577054
SMILES COC(=O)CN1CCN(CC1)c1nc2c(n1Cc1ccc(cc1Cl)Cl)c(O)nc(=O)n2C
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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 C20H22Cl2N6O4 MW 481.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22Cl2N6O4/c1-25-17-16(18(30)24-20(25)31)28(10-12-3-4-13(21)9-14(12)22)19(23-17)27-7-5-26(6-8-27)11-15(29)32-2/h3-4,9H,5-8,10-11H2,1-2H3,(H,24,30,31)InChIKey
WBDJROARNHITLS-UHFFFAOYSA-NSynonyms
895824-39-2CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC(=O)OC)CC4=C(C=C(C=C4)Cl)Cl
InChI=1SC20H22Cl2N6O4c1251716(18(30)2420(25)31)28(10123413(21)914(12)22)19(2317)277526(6827)1115(29)322h349H581011H212H3(H243031)
methyl(4(7(24dichlorobenzyl)6hydroxy3methyl2oxo37dihydro2Hpurin8yl)piperazin1yl)acetate
METHYL2(4(7((24DICHLOROPHENYL)METHYL)3METHYL26DIOXOPURIN8YL)PIPERAZIN1YL)ACETATE
MFCD08732141
ZINC000035877375
ZINC35877375
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