Vitas-M small molecule compound
methyl (2Z)-2-(4-fluorobenzylidene)-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK742985
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)/c(=C/c1ccc(cc1)F)/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 C25H23FN2O3S MW 450.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23FN2O3S/c1-14(2)17-7-9-18(10-8-17)22-21(24(30)31-4)15(3)27-25-28(22)23(29)20(32-25)13-16-5-11-19(26)12-6-16/h5-14,22H,1-4H3/b20-13-InChIKey
GJMQAVSZQVAFNE-MOSHPQCFSA-NSynonyms
(E)methyl2(4fluorobenzylidene)5(4isopropylphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)F)SC2=N1)C4=CC=C(C=C4)C(C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)c(=Cc1ccc(cc1)F)s2
InChI=1SC25H23FN2O3Sc114(2)177918(10817)2221(24(30)314)15(3)272528(22)23(29)20(3225)131651119(26)12616h51422H14H3b2013
METHYL(2Z)2((4FLUOROPHENYL)METHYLIDENE)7METHYL3OXO5(4PROPAN2YLPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(4fluorobenzylidene)7methyl3oxo5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD04083903
ZINC000014257310
ZINC000014257311
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