Vitas-M small molecule compound
methyl (2Z)-2-(2-chloro-6-fluorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK833312
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1c(F)cccc1Cl)/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 C22H16ClFN2O3S MW 442.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClFN2O3S/c1-12-18(21(28)29-2)19(13-7-4-3-5-8-13)26-20(27)17(30-22(26)25-12)11-14-15(23)9-6-10-16(14)24/h3-11,19H,1-2H3/b17-11-InChIKey
KVTBKWUVNSDZGS-BOPFTXTBSA-NSynonyms
324071-89-8(Z)methyl2(2chloro6fluorobenzylidene)7methyl3oxo5phenyl35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
324071898
CC1=C(C(N2C(=O)C(=CC3=C(C=CC=C3Cl)F)SC2=N1)C4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1c(F)cccc1Cl)s2
InChI=1SC22H16ClFN2O3Sc11218(21(28)292)19(137435813)2620(27)17(3022(26)2512)111415(23)961016(14)24h31119H12H3b1711
METHYL(2Z)2((2CHLORO6FLUOROPHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(2chloro6fluorobenzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2((2CHLORO6FLUOROPHENYL)METHYLENE)7METHYL3OXO5PHENYL45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
MFCD00981098
ZINC000002696043
ZINC000002696045
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