Vitas-M small molecule compound
4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STL005666
SMILES CCOc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)Cl)c2c3n1nc(n3CCCC2)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 C30H27ClN4OS MW 527.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN4OS/c1-2-36-24-17-15-23(16-18-24)32-29(37)27-26(20-11-13-22(31)14-12-20)25-10-6-7-19-34-28(33-35(27)30(25)34)21-8-4-3-5-9-21/h3-5,8-9,11-18H,2,6-7,10,19H2,1H3,(H,32,37)InChIKey
YKAHNIJJIYFLLP-UHFFFAOYSA-NSynonyms
540500-13-81(4chlorophenyl)N(4ethoxyphenyl)4phenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4chlorophenyl)N(4ethoxyphenyl)1phenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
540500138
CCOC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2N=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)Cl
InChI=1SC30H27ClN4OSc123624171523(161824)3229(37)2726(20111322(31)141220)251067193428(3335(27)30(25)34)218435921h35891118H2671019H21H3(H3237)
MFCD03460930
ZINC000002257908
ZINC02257908
ZINC2257908
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