Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-2-[2-(acetyloxy)-5-bromobenzylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK532843
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)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 C28H25BrN2O7S MW 613.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25BrN2O7S/c1-6-11-37-27(34)24-15(2)30-28-31(25(24)17-7-9-21(35-4)22(13-17)36-5)26(33)23(39-28)14-18-12-19(29)8-10-20(18)38-16(3)32/h6-10,12-14,25H,1,11H2,2-5H3/b23-14-InChIKey
LGFPXVAKICFLTQ-UCQKPKSFSA-NSynonyms
(Z)allyl2(2acetoxy5bromobenzylidene)5(34dimethoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)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)OC)C(=O)OCC=C
InChI=1SC28H25BrN2O7Sc16113727(34)2415(2)302831(25(24)177921(354)22(1317)365)26(33)23(3928)14181219(29)81020(18)3816(3)32h610121425H111H225H3b2314
MFCD01958935
prop2en1yl(2Z)2(2(acetyloxy)5bromobenzylidene)5(34dimethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)2((2ACETYLOXY5BROMOPHENYL)METHYLIDENE)5(34DIMETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000097966412
ZINC000097966413
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