Vitas-M small molecule compound
methyl (2Z)-2-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-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
STK794294
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)F)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 C34H29FN4O3S MW 592.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H29FN4O3S/c1-20(2)22-10-12-24(13-11-22)31-29(33(41)42-4)21(3)36-34-39(31)32(40)28(43-34)18-25-19-38(27-8-6-5-7-9-27)37-30(25)23-14-16-26(35)17-15-23/h5-20,31H,1-4H3/b28-18-InChIKey
DUXFRVXPQKHCAK-VEILYXNESA-NSynonyms
(Z)methyl2((3(4fluorophenyl)1phenyl1Hpyrazol4yl)methylene)5(4isopropylphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)C(C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)c(=Cc1cn(nc1c1ccc(cc1)F)c1ccccc1)s2
InChI=1SC34H29FN4O3Sc120(2)22101224(131122)3129(33(41)424)21(3)363439(31)32(40)28(4334)18251938(278657927)3730(25)23141626(35)171523h52031H14H3b2818
methyl(2Z)2((3(4fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)7methyl3oxo5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)2((3(4FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5(4PROPAN2YLPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD01942875
ZINC000001808413
ZINC000001808417
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