Vitas-M small molecule compound

methyl (2Z)-2-(2-chloro-6-fluorobenzylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK842082
SMILES COC(=O)C1=C(C)N=c2n(C1/C=C/c1ccccc1)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 C24H18ClFN2O3S MW 468.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClFN2O3S/c1-14-21(23(30)31-2)19(12-11-15-7-4-3-5-8-15)28-22(29)20(32-24(28)27-14)13-16-17(25)9-6-10-18(16)26/h3-13,19H,1-2H3/b12-11+,20-13-
InChIKey
BDOMGVCBFWKERG-MUUKASMTSA-N
Synonyms
385420-46-2
(Z)methyl2(2chloro6fluorobenzylidene)7methyl3oxo5((E)styryl)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
385420462
CC1=C(C(N2C(=O)C(=CC3=C(C=CC=C3Cl)F)SC2=N1)C=CC4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1C=Cc1ccccc1)c(=O)c(=Cc1c(F)cccc1Cl)s2
InChI=1SC24H18ClFN2O3Sc11421(23(30)312)19(1211157435815)2822(29)20(3224(28)2714)131617(25)961018(16)26h31319H12H3b1211+2013
METHYL(2Z)2((2CHLORO6FLUOROPHENYL)METHYLIDENE)7METHYL3OXO5((E)2PHENYLETHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(2chloro6fluorobenzylidene)7methyl3oxo5((E)2phenylethenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL5((1E)2PHENYLVINYL)2((2CHLORO6FLUOROPHENYL)METHYLENE)7METHYL3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
MFCD02106076
ZINC000001818680
ZINC000009046385

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Available files

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