Vitas-M small molecule compound
4-chloro-3-{5-[1-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)-3-methoxy-3-oxopropyl]furan-2-yl}benzoic acid
Catalog ID
STL546205
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1ccc(o1)c1cc(ccc1Cl)C(=O)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 C32H31ClN2O9 MW 623.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31ClN2O9/c1-41-21-6-4-20(5-7-21)35-13-11-34(12-14-35)18-22-16-26(36)30(38)31(43-22)24(17-29(37)42-2)28-10-9-27(44-28)23-15-19(32(39)40)3-8-25(23)33/h3-10,15-16,24,38H,11-14,17-18H2,1-2H3,(H,39,40)InChIKey
GAIKJOGQIJBQEV-UHFFFAOYSA-NSynonyms
110207990
4chloro3(5(1(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)3methoxy3oxopropyl)furan2yl)benzoicacid
4chloro3(5(1(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)3methoxy3oxopropyl)furan2yl)benzoicacid
InChI=1SC32H31ClN2O9c141216420(5721)35131134(121435)18221626(36)30(38)31(4322)24(1729(37)422)2810927(4428)231519(32(39)40)3825(23)33h31015162438H11141718H212H3(H3940)
MFCD29056414
ZINC000253402083
ZINC000253402085
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