Vitas-M small molecule compound
[4-(2-chloro-7H-purin-6-yl)piperazin-1-yl](2,3-dihydro-1,4-benzodioxin-2-yl)methanone
Catalog ID
STK622284
SMILES O=C(C1COc2c(O1)cccc2)N1CCN(CC1)c1nc(Cl)nc2c1[nH]cn2
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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 C18H17ClN6O3 MW 400.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN6O3/c19-18-22-15-14(20-10-21-15)16(23-18)24-5-7-25(8-6-24)17(26)13-9-27-11-3-1-2-4-12(11)28-13/h1-4,10,13H,5-9H2,(H,20,21,22,23)InChIKey
BDXQBAWFLGLOKP-UHFFFAOYSA-NSynonyms
929823-96-1(4(2chloro7Hpurin6yl)piperazin1yl)(23dihydro14benzodioxin2yl)methanone
(4(2chloro7Hpurin6yl)piperazin1yl)(23dihydro14benzodioxin3yl)methanone
(4(2chloro9Hpurin6yl)piperazin1yl)(23dihydrobenzo(b)(14)dioxin2yl)methanone
929823961
C1CN(CCN1C2=NC(=NC3=C2NC=N3)Cl)C(=O)C4COC5=CC=CC=C5O4
InChI=1SC18H17ClN6O3c1918221514(20102115)16(2318)245725(8624)17(26)1392711312412(11)2813h141013H59H2(H20212223)
MFCD09794301
O=C(C1COc2c(O1)cccc2)N1CCN(CC1)c1nc(Cl)nc2c1(nH)cn2
O=C(C1COc2c(O1)cccc2)N1CCN(CC1)c1nc(Cl)nc2c1nc(nH)2
ZINC000009421569
ZINC000009421570
ZINC09421569
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