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-[1-(4-methoxyphenyl)ethyl]acetamide
Catalog ID
STK985757
SMILES COc1ccc(cc1)C(NC(=O)CSc1nc2[nH]ncc2c(=O)n1c1ccc(c(c1)Cl)OC)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 C23H22ClN5O4S MW 499.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN5O4S/c1-13(14-4-7-16(32-2)8-5-14)26-20(30)12-34-23-27-21-17(11-25-28-21)22(31)29(23)15-6-9-19(33-3)18(24)10-15/h4-11,13H,12H2,1-3H3,(H,25,28)(H,26,30)InChIKey
BTXIUPZYLIEQHQ-UHFFFAOYSA-NSynonyms
2((5(3chloro4methoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(1(4methoxyphenyl)ethyl)acetamide
2((5(3chloro4methoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(1(4methoxyphenyl)ethyl)acetamide
CC(C1=CC=C(C=C1)OC)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC(=C(C=C4)OC)Cl
COc1ccc(cc1)C(NC(=O)CSc1nc2(nH)ncc2c(=O)n1c1ccc(c(c1)Cl)OC)C
InChI=1SC23H22ClN5O4Sc113(144716(322)8514)2620(30)123423272117(11252821)22(31)29(23)156919(333)18(24)1015h41113H12H213H3(H2528)(H2630)
MFCD18182715
ZINC000051316631
ZINC000051316634
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