Vitas-M small molecule compound
methyl (2E)-7-methyl-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798382
SMILES COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1cn(nc1c1cccs1)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 C27H20N4O3S3 MW 544.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O3S3/c1-16-22(26(33)34-2)24(20-11-7-13-36-20)31-25(32)21(37-27(31)28-16)14-17-15-30(18-8-4-3-5-9-18)29-23(17)19-10-6-12-35-19/h3-15,24H,1-2H3/b21-14+InChIKey
QTKTUWBUABOUPA-KGENOOAVSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)SC2=N1)C6=CC=CS6)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1cn(nc1c1cccs1)c1ccccc1)s2
InChI=1SC27H20N4O3S3c11622(26(33)342)24(20117133620)3125(32)21(3727(31)2816)14171530(188435918)2923(17)19106123519h31524H12H3b2114+
methyl(2E)7methyl3oxo2((1phenyl3(thiophen2yl)1Hpyrazol4yl)methylidene)5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)7methyl3oxo2((1phenyl3thiophen2ylpyrazol4yl)methylidene)5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03461957
ZINC000097946163
ZINC000097946164
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