Vitas-M small molecule compound
methyl (2Z)-2-(4-hydroxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL296556
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc(cc1)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 C22H18N2O4S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O4S/c1-13-18(21(27)28-2)19(15-6-4-3-5-7-15)24-20(26)17(29-22(24)23-13)12-14-8-10-16(25)11-9-14/h3-12,19,25H,1-2H3/b17-12-InChIKey
FBLPRYIXKYGPKN-ATVHPVEESA-NSynonyms
358352-59-7(Z)methyl2(4hydroxybenzylidene)7methyl3oxo5phenyl35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
358352597
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)O)SC2=N1)C4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(cc1)O)s2
InChI=1SC22H18N2O4Sc11318(21(27)282)19(156435715)2420(26)17(2922(24)2313)121481016(25)11914h3121925H12H3b1712
METHYL(2Z)2((4HYDROXYPHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(4hydroxybenzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD02213420
ZINC000004856377
ZINC000004856380
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