Vitas-M small molecule compound
ethyl (2Z)-2-[2-(benzyloxy)benzylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL495648
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C/c1ccccc1OCc1ccccc1)/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 C30H25ClN2O4S MW 545.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN2O4S/c1-3-36-29(35)26-19(2)32-30-33(27(26)22-14-8-9-15-23(22)31)28(34)25(38-30)17-21-13-7-10-16-24(21)37-18-20-11-5-4-6-12-20/h4-17,27H,3,18H2,1-2H3/b25-17-InChIKey
HQHBVBQLLYHCLO-UQQQWYQISA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1ccccc1OCc1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)C(=CC4=CC=CC=C4OCC5=CC=CC=C5)S2)C
ethyl(2Z)2(2(benzyloxy)benzylidene)5(2chlorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(2CHLOROPHENYL)7METHYL3OXO2((2PHENYLMETHOXYPHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC30H25ClN2O4Sc133629(35)2619(2)323033(27(26)2214891523(22)31)28(34)25(3830)1721137101624(21)371820115461220h41727H318H212H3b2517
MFCD01140571
ZINC000002917624
ZINC000002917629
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