Vitas-M small molecule compound
1-(4-methoxyphenyl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK607112
SMILES COc1ccc(cc1)c1c(C(=S)Nc2ccccc2)n2c3c1CCCCn3c(c2)c1ccccc1
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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 C30H27N3OS MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3OS/c1-34-24-17-15-22(16-18-24)27-25-14-8-9-19-32-26(21-10-4-2-5-11-21)20-33(30(25)32)28(27)29(35)31-23-12-6-3-7-13-23/h2-7,10-13,15-18,20H,8-9,14,19H2,1H3,(H,31,35)InChIKey
VAHHHQHTBIGQEY-UHFFFAOYSA-NSynonyms
489413-32-31(4methoxyphenyl)N4diphenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
489413323
COC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=CC=C5)C(=S)NC6=CC=CC=C6
InChI=1SC30H27N3OSc13424171522(161824)27251489193226(21104251121)2033(30(25)32)28(27)29(35)3123126371323h271013151820H891419H21H3(H3135)
MFCD03296287
ZINC000002252506
ZINC02252506
ZINC2252506
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