Vitas-M small molecule compound
methyl (2Z)-7-methyl-2-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK030498
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)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 C32H26N4O3S MW 546.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N4O3S/c1-20-14-16-22(17-15-20)28-24(19-35(34-28)25-12-8-5-9-13-25)18-26-30(37)36-29(23-10-6-4-7-11-23)27(31(38)39-3)21(2)33-32(36)40-26/h4-19,29H,1-3H3/b26-18-InChIKey
DDUAOQKIQXNVSN-ITYLOYPMSA-NSynonyms
313361-42-1(Z)methyl7methyl3oxo5phenyl2((1phenyl3(ptolyl)1Hpyrazol4yl)methylene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
313361421
CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=CC=C5)C6=CC=CC=C6
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cn(nc1c1ccc(cc1)C)c1ccccc1)s2
InChI=1SC32H26N4O3Sc120141622(171520)2824(1935(3428)25128591325)182630(37)3629(23106471123)27(31(38)393)21(2)3332(36)4026h41929H13H3b2618
METHYL(2Z)7METHYL2((3(4METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLIDENE)3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
METHYL(2Z)7METHYL2((3(4METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
METHYL7METHYL2((3(4METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD01162879
STK030498
ZINC000002059809
ZINC000002059811
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