Vitas-M small molecule compound

N~3~-(2-chloro-7H-purin-6-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-beta-alaninamide

Catalog ID
STL247277
SMILES O=C(Nc1ccc2c(c1)OCCCO2)CCNc1nc(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 C17H17ClN6O3 MW 388.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN6O3/c18-17-23-15(14-16(24-17)21-9-20-14)19-5-4-13(25)22-10-2-3-11-12(8-10)27-7-1-6-26-11/h2-3,8-9H,1,4-7H2,(H,22,25)(H2,19,20,21,23,24)
InChIKey
DBHJUYQRBJHUQK-UHFFFAOYSA-N
Synonyms
1351699-43-8
1351699438
3((2chloro7Hpurin6yl)amino)N(34dihydro2H15benzodioxepin7yl)propanamide
3((2chloro9Hpurin6yl)amino)N(34dihydro2Hbenzo(b)(14)dioxepin7yl)propanamide
C1COC2=C(C=C(C=C2)NC(=O)CCNC3=NC(=NC4=C3NC=N4)Cl)OC1
InChI=1SC17H17ClN6O3c18172315(1416(2417)2192014)195413(25)2210231112(810)277162611h2389H147H2(H2225)(H21920212324)
MFCD24860838
N~3~(2chloro7Hpurin6yl)N(34dihydro2H15benzodioxepin7yl)betaalaninamide
N3(2CHLORO7HPURIN6YL)N(34DIHYDRO2H15BENZODIOXEPIN7YL)BETAALANINAMIDE
O=C(Nc1ccc2c(c1)OCCCO2)CCNc1nc(Cl)nc2c1(nH)cn2
O=C(Nc1ccc2c(c1)OCCCO2)CCNc1nc(Cl)nc2c1nc(nH)2
ZINC000072400813
ZINC72400813

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Available files

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