Vitas-M small molecule compound
butyl {1-[(5-bromo-2-propoxyphenyl)carbonyl]-3-oxopiperazin-2-yl}acetate
Catalog ID
STL066182
SMILES CCCCOC(=O)CC1C(=O)NCCN1C(=O)c1cc(Br)ccc1OCCC
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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 C20H27BrN2O5 MW 455.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27BrN2O5/c1-3-5-11-28-18(24)13-16-19(25)22-8-9-23(16)20(26)15-12-14(21)6-7-17(15)27-10-4-2/h6-7,12,16H,3-5,8-11,13H2,1-2H3,(H,22,25)InChIKey
VDABMPKULDTZGV-UHFFFAOYSA-NSynonyms
butyl(1((5bromo2propoxyphenyl)carbonyl)3oxopiperazin2yl)acetate
butyl2(1(5bromo2propoxybenzoyl)3oxopiperazin2yl)acetate
CCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)Br)OCCC
InChI=1SC20H27BrN2O5c135112818(24)131619(25)228923(16)20(26)151214(21)6717(15)271042h671216H3581113H212H3(H2225)
MFCD07550231
ZINC000012137770
ZINC000012137771
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