Vitas-M small molecule compound
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STL005015
SMILES COc1ccc(cc1)NC(=S)c1n2nc(n3c2c(c1c1ccc(cc1)Cl)CCCC3)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 C29H25ClN4OS MW 513.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4OS/c1-35-23-16-14-22(15-17-23)31-28(36)26-25(19-10-12-21(30)13-11-19)24-9-5-6-18-33-27(32-34(26)29(24)33)20-7-3-2-4-8-20/h2-4,7-8,10-17H,5-6,9,18H2,1H3,(H,31,36)InChIKey
UQVHWZLFXLSVNU-UHFFFAOYSA-NSynonyms
540775-91-51(4chlorophenyl)N(4methoxyphenyl)4phenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4chlorophenyl)N(4methoxyphenyl)1phenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
540775915
COC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2N=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)Cl
InChI=1SC29H25ClN4OSc13523161422(151723)3128(36)2625(19101221(30)131119)24956183327(3234(26)29(24)33)207324820h24781017H56918H21H3(H3136)
MFCD03494001
ZINC000002248996
ZINC02248996
ZINC2248996
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