Vitas-M small molecule compound
N,1,4-tris(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK617068
SMILES COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccc(cc1)OC)cc3c1ccc(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 C32H31N3O3S MW 537.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O3S/c1-36-24-13-7-21(8-14-24)28-20-35-30(31(39)33-23-11-17-26(38-3)18-12-23)29(22-9-15-25(37-2)16-10-22)27-6-4-5-19-34(28)32(27)35/h7-18,20H,4-6,19H2,1-3H3,(H,33,39)InChIKey
CNYZABHIPUTIFK-UHFFFAOYSA-NSynonyms
499115-92-3499115923
COC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NC6=CC=C(C=C6)OC
InChI=1SC32H31N3O3Sc1362413721(81424)28203530(31(39)3323111726(383)181223)29(2291525(372)161022)276451934(28)32(27)35h71820H4619H213H3(H3339)
MFCD03302345
N14tris(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002351440
ZINC2351440
Check stock
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Check stock on Vitas-MAvailable files
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