Vitas-M small molecule compound
methyl (2Z)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-2-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799065
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)C)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 C35H30N4O6S MW 634.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N4O6S/c1-20-11-13-23(14-12-20)31-25(19-38(37-31)26-9-7-6-8-10-26)18-29-33(41)39-32(30(34(42)44-5)21(2)36-35(39)46-29)24-15-16-27(45-22(3)40)28(17-24)43-4/h6-19,32H,1-5H3/b29-18-InChIKey
HCMYHYQTONFUIP-MIXAMLLLSA-NSynonyms
CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC(=C(C=C5)OC(=O)C)OC)C6=CC=CC=C6
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1cn(nc1c1ccc(cc1)C)c1ccccc1)s2
InChI=1SC35H30N4O6Sc120111323(141220)3125(1938(3731)2697681026)182933(41)3932(30(34(42)445)21(2)3635(39)4629)24151627(4522(3)40)28(1724)434h61932H15H3b2918
methyl(2Z)5(4(acetyloxy)3methoxyphenyl)7methyl2((3(4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)7METHYL2((3(4METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03462243
ZINC000097946231
ZINC000097946232
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