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-(4-methylphenyl)acetamide
Catalog ID
STK985717
SMILES COc1ccc(cc1Cl)n1c(SCC(=O)Nc2ccc(cc2)C)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 C21H18ClN5O3S MW 455.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5O3S/c1-12-3-5-13(6-4-12)24-18(28)11-31-21-25-19-15(10-23-26-19)20(29)27(21)14-7-8-17(30-2)16(22)9-14/h3-10H,11H2,1-2H3,(H,23,26)(H,24,28)InChIKey
XGNPFVVXGYKLIA-UHFFFAOYSA-NSynonyms
2((5(3chloro4methoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(4methylphenyl)acetamide
2((5(3chloro4methoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(4methylphenyl)acetamide
CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC(=C(C=C4)OC)Cl
COc1ccc(cc1Cl)n1c(SCC(=O)Nc2ccc(cc2)C)nc2c(c1=O)cn(nH)2
InChI=1SC21H18ClN5O3Sc1123513(6412)2418(28)113121251915(10232619)20(29)27(21)147817(302)16(22)914h310H11H212H3(H2326)(H2428)
MFCD18182675
ZINC000051316559
ZINC51316559
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