Vitas-M small molecule compound
6-bromo-3-(4-{2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethoxy}phenyl)-2H-chromen-2-one
Catalog ID
STK718001
SMILES OC[C@@H]1CCCN1C(=O)COc1ccc(cc1)c1cc2cc(Br)ccc2oc1=O
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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 C22H20BrNO5 MW 458.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO5/c23-16-5-8-20-15(10-16)11-19(22(27)29-20)14-3-6-18(7-4-14)28-13-21(26)24-9-1-2-17(24)12-25/h3-8,10-11,17,25H,1-2,9,12-13H2/t17-/m0/s1InChIKey
LFHIJGQTMPHVPF-KRWDZBQOSA-NSynonyms
1176576-52-5(S)6bromo3(4(2(2(hydroxymethyl)pyrrolidin1yl)2oxoethoxy)phenyl)2Hchromen2one
1176576525
6bromo3(4(2((2S)2(hydroxymethyl)pyrrolidin1yl)2oxoethoxy)phenyl)2Hchromen2one
6bromo3(4(2((2S)2(hydroxymethyl)pyrrolidin1yl)2oxoethoxy)phenyl)chromen2one
C1CC(N(C1)C(=O)COC2=CC=C(C=C2)C3=CC4=C(C=CC(=C4)Br)OC3=O)CO
InChI=1SC22H20BrNO5c2316582015(1016)1119(22(27)2920)143618(7414)281321(26)2491217(24)1225h3810111725H1291213H2t17m0s1
MFCD13371604
OC(C@@H)1CCCN1C(=O)COc1ccc(cc1)c1cc2cc(Br)ccc2oc1=O
ZINC000012391914
ZINC12391914
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