Vitas-M small molecule compound
methyl 3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)propanoate
Catalog ID
STL492063
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1ccc(o1)c1nc2c(s1)cccc2
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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 C32H31N3O7S MW 601.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O7S/c1-39-21-9-7-20(8-10-21)35-15-13-34(14-16-35)19-22-17-25(36)30(38)31(41-22)23(18-29(37)40-2)26-11-12-27(42-26)32-33-24-5-3-4-6-28(24)43-32/h3-12,17,23,38H,13-16,18-19H2,1-2H3InChIKey
FPDYZLVMJBIEPO-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)C(=C(O3)C(CC(=O)OC)C4=CC=C(O4)C5=NC6=CC=CC=C6S5)O
InChI=1SC32H31N3O7Sc139219720(81021)35151334(141635)19221725(36)30(38)31(4122)23(1829(37)402)26111227(4226)323324534628(24)4332h312172338H13161819H212H3
methyl3(5(13benzothiazol2yl)furan2yl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)propanoate
methyl3(5(13benzothiazol2yl)furan2yl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)propanoate
methyl3(5(benzo(d)thiazol2yl)furan2yl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)propanoate
MFCD29057001
ZINC000253401410
ZINC000253401413
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