Vitas-M small molecule compound
ethyl (2Z)-2-(2,3-dimethoxybenzylidene)-5-(3-methoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL164272
SMILES CCOC(=O)C1=C(N=c2n(C1c1cccc(c1)OC)c(=O)/c(=C/c1cccc(c1OC)OC)/s2)c1ccccc1
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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 C31H28N2O6S MW 556.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O6S/c1-5-39-30(35)25-26(19-11-7-6-8-12-19)32-31-33(27(25)20-13-9-15-22(17-20)36-2)29(34)24(40-31)18-21-14-10-16-23(37-3)28(21)38-4/h6-18,27H,5H2,1-4H3/b24-18-InChIKey
QMTKUUQIYGXSFA-MOHJPFBDSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1cccc(c1)OC)c(=O)c(=Cc1cccc(c1OC)OC)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)OC)C(=O)C(=CC4=C(C(=CC=C4)OC)OC)S2)C5=CC=CC=C5
ethyl(2Z)2((23dimethoxyphenyl)methylidene)5(3methoxyphenyl)3oxo7phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(23dimethoxybenzylidene)5(3methoxyphenyl)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC31H28N2O6Sc153930(35)2526(19117681219)323133(27(25)201391522(1720)362)29(34)24(4031)182114101623(373)28(21)384h61827H5H214H3b2418
MFCD02951669
ZINC000002775241
ZINC000002775243
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