Vitas-M small molecule compound
N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK858316
SMILES COc1ccc(cc1)c1c(C(=S)Nc2ccc(cc2)OC)n2c3c1CCCCn3c(n2)c1ccc(cc1)C
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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 C31H30N4O2S MW 522.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O2S/c1-20-7-9-22(10-8-20)29-33-35-28(30(38)32-23-13-17-25(37-3)18-14-23)27(21-11-15-24(36-2)16-12-21)26-6-4-5-19-34(29)31(26)35/h7-18H,4-6,19H2,1-3H3,(H,32,38)InChIKey
PJHNHJWXBNXDID-UHFFFAOYSA-NSynonyms
540774-20-7540774207
CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NC6=CC=C(C=C6)OC
InChI=1SC31H30N4O2Sc1207922(10820)29333528(30(38)3223131725(373)181423)27(21111524(362)161221)266451934(29)31(26)35h718H4619H213H3(H3238)
MFCD03460679
N1bis(4methoxyphenyl)4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
N4bis(4methoxyphenyl)1(4methylphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
ZINC000002255216
ZINC02255216
ZINC2255216
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