Vitas-M small molecule compound
ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798965
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)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 C31H26N4O4S2 MW 582.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N4O4S2/c1-4-39-30(37)26-19(2)32-31-35(28(26)20-12-14-23(38-3)15-13-20)29(36)25(41-31)17-21-18-34(22-9-6-5-7-10-22)33-27(21)24-11-8-16-40-24/h5-18,28H,4H2,1-3H3/b25-17-InChIKey
NQQXGTCPZDQSDT-UQQQWYQISA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cn(nc1c1cccs1)c1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)S2)C
ethyl(2Z)5(4methoxyphenyl)7methyl3oxo2((1phenyl3(thiophen2yl)1Hpyrazol4yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4METHOXYPHENYL)7METHYL3OXO2((1PHENYL3THIOPHEN2YLPYRAZOL4YL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H26N4O4S2c143930(37)2619(2)323135(28(26)20121423(383)151320)29(36)25(4131)17211834(2296571022)3327(21)24118164024h51828H4H213H3b2517
MFCD03462165
ZINC000002671639
ZINC000002671641
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Check stock on Vitas-MAvailable files
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