Vitas-M small molecule compound
2-{[5-(3-chloro-4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxybenzyl)acetamide
Catalog ID
STK985754
SMILES COc1ccc(cc1Cl)n1c(SCC(=O)NCc2ccccc2OC)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/c1-31-17-6-4-3-5-13(17)10-24-19(29)12-33-22-26-20-15(11-25-27-20)21(30)28(22)14-7-8-18(32-2)16(23)9-14/h3-9,11H,10,12H2,1-2H3,(H,24,29)(H,25,27)InChIKey
CFUAMQZRKCPRIE-UHFFFAOYSA-NSynonyms
2((5(3chloro4methoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N((2methoxyphenyl)methyl)acetamide
2((5(3chloro4methoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(2methoxybenzyl)acetamide
COC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NCC4=CC=CC=C4OC)Cl
COc1ccc(cc1Cl)n1c(SCC(=O)NCc2ccccc2OC)nc2c(c1=O)cn(nH)2
InChI=1SC22H20ClN5O4Sc13117643513(17)102419(29)123322262015(11252720)21(30)28(22)147818(322)16(23)914h3911H1012H212H3(H2429)(H2527)
MFCD18182712
ZINC000051316626
ZINC51316626
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