Vitas-M small molecule compound
propan-2-yl (2Z)-2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK811210
SMILES CC(OC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)Cl)c1ccccc1)/s2)C
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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 C31H25ClN4O3S2 MW 601.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25ClN4O3S2/c1-18(2)39-30(38)26-19(3)33-31-36(28(26)24-10-7-15-40-24)29(37)25(41-31)16-21-17-35(23-8-5-4-6-9-23)34-27(21)20-11-13-22(32)14-12-20/h4-18,28H,1-3H3/b25-16-InChIKey
QXRDMVAKZHAVKP-XYGWBWBKSA-NSynonyms
CC(OC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1cn(nc1c1ccc(cc1)Cl)c1ccccc1)s2)C
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)SC2=N1)C6=CC=CS6)C(=O)OC(C)C
InChI=1SC31H25ClN4O3S2c118(2)3930(38)2619(3)333136(28(26)24107154024)29(37)25(4131)16211735(238546923)3427(21)20111322(32)141220h41828H13H3b2516
MFCD03762987
propan2yl(2Z)2((3(4chlorophenyl)1phenyl1Hpyrazol4yl)methylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROPAN2YL(2Z)2((3(4CHLOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000097957705
ZINC000097957706
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