Vitas-M small molecule compound
N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK770194
SMILES COc1ccc(cc1)c1c(C(=S)Nc2cccc(c2C)C)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 C32H31N3OS MW 505.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3OS/c1-21-10-9-14-27(22(21)2)33-31(37)30-29(24-15-17-25(36-3)18-16-24)26-13-7-8-19-34-28(20-35(30)32(26)34)23-11-5-4-6-12-23/h4-6,9-12,14-18,20H,7-8,13,19H2,1-3H3,(H,33,37)InChIKey
GVQLEEULOOQGLJ-UHFFFAOYSA-NSynonyms
397291-00-8397291008
CC1=C(C(=CC=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)OC)C
InChI=1SC32H31N3OSc1211091427(22(21)2)3331(37)3029(24151725(363)181624)261378193428(2035(30)32(26)34)23115461223h46912141820H781319H213H3(H3337)
MFCD03296790
N(23dimethylphenyl)1(4methoxyphenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002192408
ZINC02192408
ZINC2192408
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