Vitas-M small molecule compound
N-(4-chlorophenyl)-1,4-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK783811
SMILES COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=S)Nc1ccc(cc1)Cl)c1ccc(cc1)OC
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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 C31H28ClN3O2S MW 542.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O2S/c1-36-24-14-6-20(7-15-24)27-19-35-29(30(38)33-23-12-10-22(32)11-13-23)28(21-8-16-25(37-2)17-9-21)26-5-3-4-18-34(27)31(26)35/h6-17,19H,3-5,18H2,1-2H3,(H,33,38)InChIKey
PGTGQWLIJQXYCE-UHFFFAOYSA-NSynonyms
488717-57-3488717573
COC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NC6=CC=C(C=C6)Cl
InChI=1SC31H28ClN3O2Sc1362414620(71524)27193529(30(38)3323121022(32)111323)28(2181625(372)17921)265341834(27)31(26)35h61719H3518H212H3(H3338)
MFCD03291131
N(4chlorophenyl)14bis(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002337011
ZINC2337011
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