Vitas-M small molecule compound
prop-2-en-1-yl (2E)-2-[4-(acetyloxy)benzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794481
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccc(cc1)OC(=O)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 C26H22N2O5S MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5S/c1-4-14-32-25(31)22-16(2)27-26-28(23(22)19-8-6-5-7-9-19)24(30)21(34-26)15-18-10-12-20(13-11-18)33-17(3)29/h4-13,15,23H,1,14H2,2-3H3/b21-15+InChIKey
HZXDCKOMCZPBLS-RCCKNPSSSA-NSynonyms
(Z)allyl2(4acetoxybenzylidene)7methyl3oxo5phenyl35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(cc1)OC(=O)C)s2
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C)SC2=N1)C4=CC=CC=C4)C(=O)OCC=C
InChI=1SC26H22N2O5Sc14143225(31)2216(2)272628(23(22)198657919)24(30)21(3426)1518101220(131118)3317(3)29h4131523H114H223H3b2115+
MFCD03088905
prop2en1yl(2E)2(4(acetyloxy)benzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
prop2enyl(2E)2((4acetyloxyphenyl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000019800526
ZINC000019800527
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