Vitas-M small molecule compound
4-(4-chlorophenyl)-N-(2-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK771591
SMILES COc1ccccc1NC(=S)c1c(c2ccc(cc2)Cl)c2c3n1nc(n3CCCC2)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 C30H27ClN4OS MW 527.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN4OS/c1-19-10-12-21(13-11-19)28-33-35-27(29(37)32-24-8-3-4-9-25(24)36-2)26(20-14-16-22(31)17-15-20)23-7-5-6-18-34(28)30(23)35/h3-4,8-17H,5-7,18H2,1-2H3,(H,32,37)InChIKey
LERZDKFIRDROBU-UHFFFAOYSA-NSynonyms
540774-27-41(4chlorophenyl)N(2methoxyphenyl)4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4chlorophenyl)N(2methoxyphenyl)1(4methylphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
540774274
CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=CC=C6OC
InChI=1SC30H27ClN4OSc119101221(131119)28333527(29(37)3224834925(24)362)26(20141622(31)171520)237561834(28)30(23)35h34817H5718H212H3(H3237)
MFCD03460691
ZINC000002258005
ZINC02258005
ZINC2258005
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