Vitas-M small molecule compound
methyl (2E)-2-benzylidene-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK533579
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1ccccc1)/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 C22H17ClN2O3S MW 424.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O3S/c1-13-18(21(27)28-2)19(15-8-10-16(23)11-9-15)25-20(26)17(29-22(25)24-13)12-14-6-4-3-5-7-14/h3-12,19H,1-2H3/b17-12+InChIKey
UPROUBUGGMPZSI-SFQUDFHCSA-NSynonyms
300721-70-4(E)methyl2benzylidene5(4chlorophenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
300721704
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3)SC2=N1)C4=CC=C(C=C4)Cl)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccccc1)s2
InChI=1SC22H17ClN2O3Sc11318(21(27)282)19(1581016(23)11915)2520(26)17(2922(25)2413)12146435714h31219H12H3b1712+
methyl(2E)2benzylidene5(4chlorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2benzylidene5(4chlorophenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD01945380
ZINC000013765968
ZINC000013765971
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