Vitas-M small molecule compound
4-(2-chlorobenzyl)-N-(4-methyl-2-oxo-2H-chromen-7-yl)piperazine-1-carbothioamide
Catalog ID
STK443072
SMILES S=C(N1CCN(CC1)Cc1ccccc1Cl)Nc1ccc2c(c1)oc(=O)cc2C
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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 C22H22ClN3O2S MW 427.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O2S/c1-15-12-21(27)28-20-13-17(6-7-18(15)20)24-22(29)26-10-8-25(9-11-26)14-16-4-2-3-5-19(16)23/h2-7,12-13H,8-11,14H2,1H3,(H,24,29)InChIKey
QOOLJUNSGNSDHC-UHFFFAOYSA-NSynonyms
4((2chlorophenyl)methyl)N(4methyl2oxochromen7yl)piperazine1carbothioamide
4(2chlorobenzyl)N(4methyl2oxo2Hchromen7yl)piperazine1carbothioamide
7(((4((2CHLOROPHENYL)METHYL)PIPERAZINYL)THIOXOMETHYL)AMINO)4METHYLCHROMEN2ONE
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4Cl
InChI=1SC22H22ClN3O2Sc1151221(27)28201317(6718(15)20)2422(29)2610825(91126)1416423519(16)23h271213H81114H21H3(H2429)
MFCD04054593
ZINC000095483509
ZINC95483509
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