Vitas-M small molecule compound
(4-{(E)-[6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Catalog ID
STL407006
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1ccc(c(c1)OC)OCC(=O)O)/s2
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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 C27H26N2O8S MW 538.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O8S/c1-5-36-26(33)23-15(2)28-27-29(24(23)17-7-9-18(34-3)10-8-17)25(32)21(38-27)13-16-6-11-19(20(12-16)35-4)37-14-22(30)31/h6-13,24H,5,14H2,1-4H3,(H,30,31)/b21-13+InChIKey
MNPBIQHOPFNEHF-FYJGNVAPSA-NSynonyms
(4((E)(6(ethoxycarbonyl)5(4methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)2methoxyphenoxy)aceticacid
2(4((E)(6ethoxycarbonyl5(4methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2ylidene)methyl)2methoxyphenoxy)aceticacid
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(c(c1)OC)OCC(=O)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC(=C(C=C4)OCC(=O)O)OC)S2)C
InChI=1SC27H26N2O8Sc153626(33)2315(2)282729(24(23)177918(343)10817)25(32)21(3827)131661119(20(1216)354)371422(30)31h61324H514H214H3(H3031)b2113+
MFCD04083783
ZINC000064634966
ZINC000064634967
Check stock
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Check stock on Vitas-MAvailable files
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