Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-2-[3-(acetyloxy)benzylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797884
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cccc(c1)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 C27H24N2O6S MW 504.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O6S/c1-5-13-34-26(32)23-16(2)28-27-29(24(23)19-9-11-20(33-4)12-10-19)25(31)22(36-27)15-18-7-6-8-21(14-18)35-17(3)30/h5-12,14-15,24H,1,13H2,2-4H3/b22-15-InChIKey
IZVWEBZHKMVWBE-JCMHNJIXSA-NSynonyms
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cccc(c1)OC(=O)C)s2
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)OC(=O)C)SC2=N1)C4=CC=C(C=C4)OC)C(=O)OCC=C
InChI=1SC27H24N2O6Sc15133426(32)2316(2)282729(24(23)1991120(334)121019)25(31)22(3627)151876821(1418)3517(3)30h512141524H113H224H3b2215
MFCD03461794
prop2en1yl(2Z)2(3(acetyloxy)benzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)2((3ACETYLOXYPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000002704429
ZINC000002704433
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