Vitas-M small molecule compound
methyl (2Z)-2-(4-bromobenzylidene)-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK861935
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C/c1ccc(cc1)Br)/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 C22H16BrClN2O3S MW 503.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrClN2O3S/c1-12-18(21(28)29-2)19(15-5-3-4-6-16(15)24)26-20(27)17(30-22(26)25-12)11-13-7-9-14(23)10-8-13/h3-11,19H,1-2H3/b17-11-InChIKey
NABCNEYBOLLDJZ-BOPFTXTBSA-NSynonyms
(E)methyl2(4bromobenzylidene)5(2chlorophenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)Br)SC2=N1)C4=CC=CC=C4Cl)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1ccc(cc1)Br)s2
InChI=1SC22H16BrClN2O3Sc11218(21(28)292)19(15534616(15)24)2620(27)17(3022(26)2512)11137914(23)10813h31119H12H3b1711
METHYL(2Z)2((4BROMOPHENYL)METHYLIDENE)5(2CHLOROPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(4bromobenzylidene)5(2chlorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD01162994
ZINC000032617777
ZINC000032617779
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