Vitas-M small molecule compound
1-(4-bromophenyl)-N,4-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK681515
SMILES COc1ccc(cc1)c1c(C(=S)Nc2ccc(cc2)OC)n2c3c1CCCCn3c(n2)c1ccc(cc1)Br
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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 C30H27BrN4O2S MW 587.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27BrN4O2S/c1-36-23-14-8-19(9-15-23)26-25-5-3-4-18-34-28(20-6-10-21(31)11-7-20)33-35(30(25)34)27(26)29(38)32-22-12-16-24(37-2)17-13-22/h6-17H,3-5,18H2,1-2H3,(H,32,38)InChIKey
WASDFYGCOARURN-UHFFFAOYSA-NSynonyms
1(4bromophenyl)N4bis(4methoxyphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
4(4bromophenyl)N1bis(4methoxyphenyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
COC1=CC=C(C=C1)C2=C(N3C4=C2CCCCN4C(=N3)C5=CC=C(C=C5)Br)C(=S)NC6=CC=C(C=C6)OC
InChI=1SC30H27BrN4O2Sc1362314819(91523)2625534183428(2061021(31)11720)3335(30(25)34)27(26)29(38)3222121624(372)171322h617H3518H212H3(H3238)
MFCD03459923
ZINC000001765509
ZINC01765509
ZINC1765509
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