Vitas-M small molecule compound
N-(3-chloro-4-methoxyphenyl)-2-{[5-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Catalog ID
STK985695
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)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 C22H20ClN5O4S MW 485.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O4S/c1-3-32-15-7-5-14(6-8-15)28-21(30)16-11-24-27-20(16)26-22(28)33-12-19(29)25-13-4-9-18(31-2)17(23)10-13/h4-11H,3,12H2,1-2H3,(H,24,27)(H,25,29)InChIKey
NMKOODALTZWBJO-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=CC(=C(C=C4)OC)Cl
CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nc2c(c1=O)cn(nH)2
InChI=1SC22H20ClN5O4Sc1332157514(6815)2821(30)1611242720(16)2622(28)331219(29)25134918(312)17(23)1013h411H312H212H3(H2427)(H2529)
MFCD18182653
N(3chloro4methoxyphenyl)2((5(4ethoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
N(3chloro4methoxyphenyl)2((5(4ethoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
ZINC000051316515
ZINC51316515
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