Vitas-M small molecule compound
cyclohexyl {1-[(5-bromo-2-butoxyphenyl)carbonyl]-3-oxopiperazin-2-yl}acetate
Catalog ID
STL066170
SMILES CCCCOc1ccc(cc1C(=O)N1CCNC(=O)C1CC(=O)OC1CCCCC1)Br
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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 C23H31BrN2O5 MW 495.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31BrN2O5/c1-2-3-13-30-20-10-9-16(24)14-18(20)23(29)26-12-11-25-22(28)19(26)15-21(27)31-17-7-5-4-6-8-17/h9-10,14,17,19H,2-8,11-13,15H2,1H3,(H,25,28)InChIKey
ZNZKRCTYPXTNCV-UHFFFAOYSA-NSynonyms
CCCCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OC3CCCCC3
cyclohexyl(1((5bromo2butoxyphenyl)carbonyl)3oxopiperazin2yl)acetate
cyclohexyl2(1(5bromo2butoxybenzoyl)3oxopiperazin2yl)acetate
InChI=1SC23H31BrN2O5c12313302010916(24)1418(20)23(29)2612112522(28)19(26)1521(27)31177546817h910141719H28111315H21H3(H2528)
MFCD07548751
ZINC000012137726
ZINC000012137727
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