Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-2-[2-(acetyloxy)-5-bromobenzylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794513
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cc(Br)ccc1OC(=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 C27H23BrN2O6S MW 583.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN2O6S/c1-5-12-35-26(33)23-15(2)29-27-30(24(23)17-6-9-20(34-4)10-7-17)25(32)22(37-27)14-18-13-19(28)8-11-21(18)36-16(3)31/h5-11,13-14,24H,1,12H2,2-4H3/b22-14-InChIKey
YCMCCYUTSAKJKQ-HMAPJEAMSA-NSynonyms
(Z)allyl2(2acetoxy5bromobenzylidene)5(4methoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
4BROMO2((5(4METHOXYPHENYL)7METHYL3OXO6(PROP2ENYLOXYCARBONYL)(45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDIN2YLIDENE))METHYL)PHENYLACETATE
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cc(Br)ccc1OC(=O)C)s2
CC1=C(C(N2C(=O)C(=CC3=C(C=CC(=C3)Br)OC(=O)C)SC2=N1)C4=CC=C(C=C4)OC)C(=O)OCC=C
InChI=1SC27H23BrN2O6Sc15123526(33)2315(2)292730(24(23)176920(344)10717)25(32)22(3727)14181319(28)81121(18)3616(3)31h511131424H112H224H3b2214
MFCD03293127
prop2en1yl(2Z)2(2(acetyloxy)5bromobenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)2((2ACETYLOXY5BROMOPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000001845488
ZINC000001845497
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