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-(3-chlorophenyl)acetamide
Catalog ID
STK985745
SMILES COc1ccc(cc1Cl)n1c(SCC(=O)Nc2cccc(c2)Cl)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 C20H15Cl2N5O3S MW 476.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15Cl2N5O3S/c1-30-16-6-5-13(8-15(16)22)27-19(29)14-9-23-26-18(14)25-20(27)31-10-17(28)24-12-4-2-3-11(21)7-12/h2-9H,10H2,1H3,(H,23,26)(H,24,28)InChIKey
WYHXBTCISDMBGF-UHFFFAOYSA-NSynonyms
2((5(3chloro4methoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(3chlorophenyl)acetamide
2((5(3chloro4methoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(3chlorophenyl)acetamide
COC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=CC(=CC=C4)Cl)Cl
COc1ccc(cc1Cl)n1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)cn(nH)2
InChI=1SC20H15Cl2N5O3Sc130166513(815(16)22)2719(29)149232618(14)2520(27)311017(28)241242311(21)712h29H10H21H3(H2326)(H2428)
MFCD18182703
ZINC000051316608
ZINC51316608
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