Vitas-M small molecule compound
methyl (2Z)-5-[4-(acetyloxy)phenyl]-2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794472
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)Cl)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 C33H25ClN4O5S MW 625.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25ClN4O5S/c1-19-28(32(41)42-3)30(22-11-15-26(16-12-22)43-20(2)39)38-31(40)27(44-33(38)35-19)17-23-18-37(25-7-5-4-6-8-25)36-29(23)21-9-13-24(34)14-10-21/h4-18,30H,1-3H3/b27-17-InChIKey
OFSBTLGXSCNVLQ-PKAZHMFMSA-NSynonyms
(Z)methyl5(4acetoxyphenyl)2((3(4chlorophenyl)1phenyl1Hpyrazol4yl)methylene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)OC(=O)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1cn(nc1c1ccc(cc1)Cl)c1ccccc1)s2
InChI=1SC33H25ClN4O5Sc11928(32(41)423)30(22111526(161222)4320(2)39)3831(40)27(4433(38)3519)17231837(257546825)3629(23)2191324(34)141021h41830H13H3b2717
methyl(2Z)5(4(acetyloxy)phenyl)2((3(4chlorophenyl)1phenyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)5(4ACETYLOXYPHENYL)2((3(4CHLOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03212241
ZINC000097947093
ZINC000097947094
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