Vitas-M small molecule compound

1-(4-chlorophenyl)-N,4-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide

Catalog ID
STK783812
SMILES COc1ccc(cc1)NC(=S)c1n2cc(n3c2c(c1c1ccc(cc1)Cl)CCCC3)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/c1-36-24-14-8-20(9-15-24)27-19-35-29(30(38)33-23-12-16-25(37-2)17-13-23)28(21-6-10-22(32)11-7-21)26-5-3-4-18-34(27)31(26)35/h6-17,19H,3-5,18H2,1-2H3,(H,33,38)
InChIKey
WNDGKVOQHNGTAK-UHFFFAOYSA-N
Synonyms
488093-43-2
1(4chlorophenyl)N4bis(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
488093432
COC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=C(C=C6)OC
InChI=1SC31H28ClN3O2Sc1362414820(91524)27193529(30(38)3323121625(372)171323)28(2161022(32)11721)265341834(27)31(26)35h61719H3518H212H3(H3338)
MFCD03288059
ZINC000002325872
ZINC2325872

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Available files

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