Vitas-M small molecule compound
ethyl (2E)-2-{[1-(biphenyl-4-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL477123
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC)c(=O)/c(=C\c1cc(n(c1C)c1ccc(cc1)c1ccccc1)C)/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 C36H33N3O4S MW 603.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H33N3O4S/c1-6-43-35(41)32-23(3)37-36-39(33(32)29-14-10-11-15-30(29)42-5)34(40)31(44-36)21-27-20-22(2)38(24(27)4)28-18-16-26(17-19-28)25-12-8-7-9-13-25/h7-21,33H,6H2,1-5H3/b31-21+InChIKey
GTBHPDHTPQANHK-NJZRLIGZSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC)c(=O)c(=Cc1cc(n(c1C)c1ccc(cc1)c1ccccc1)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC)C(=O)C(=CC4=C(N(C(=C4)C)C5=CC=C(C=C5)C6=CC=CC=C6)C)S2)C
ethyl(2E)2((1(biphenyl4yl)25dimethyl1Hpyrrol3yl)methylidene)5(2methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2((25dimethyl1(4phenylphenyl)pyrrol3yl)methylidene)5(2methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC36H33N3O4Sc164335(41)3223(3)373639(33(32)291410111530(29)425)34(40)31(4436)21272022(2)38(24(27)4)28181626(171928)25128791325h72133H6H215H3b3121+
MFCD04083822
ZINC000100306277
ZINC000100306279
Check stock
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Check stock on Vitas-MAvailable files
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