Vitas-M small molecule compound
methyl 4-[({[5-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK985678
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nc2c(c1=O)cn[nH]2
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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 C23H21N5O5S MW 479.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O5S/c1-3-33-17-10-8-16(9-11-17)28-21(30)18-12-24-27-20(18)26-23(28)34-13-19(29)25-15-6-4-14(5-7-15)22(31)32-2/h4-12H,3,13H2,1-2H3,(H,24,27)(H,25,29)InChIKey
UKYGJWHCRNFHGQ-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)OC
CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nc2c(c1=O)cn(nH)2
InChI=1SC23H21N5O5Sc13331710816(91117)2821(30)1812242720(18)2623(28)341319(29)25156414(5715)22(31)322h412H313H212H3(H2427)(H2529)
methyl4((((5(4ethoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetyl)amino)benzoate
methyl4((2((5(4ethoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetyl)amino)benzoate
MFCD18182637
ZINC000051316481
ZINC51316481
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