Vitas-M small molecule compound
1-(4-methoxyphenyl)-4-(4-methylphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK783813
SMILES COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccccc1)cc3c1ccc(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 C31H29N3OS MW 491.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3OS/c1-21-11-13-22(14-12-21)27-20-34-29(30(36)32-24-8-4-3-5-9-24)28(23-15-17-25(35-2)18-16-23)26-10-6-7-19-33(27)31(26)34/h3-5,8-9,11-18,20H,6-7,10,19H2,1-2H3,(H,32,36)InChIKey
HMAODIAVIYOAON-UHFFFAOYSA-NSynonyms
496771-80-31(4methoxyphenyl)4(4methylphenyl)Nphenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
1(4methoxyphenyl)Nphenyl4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
496771803
CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NC6=CC=CC=C6
InChI=1SC31H29N3OSc121111322(141221)27203429(30(36)32248435924)28(23151725(352)181623)2610671933(27)31(26)34h3589111820H671019H212H3(H3236)
MFCD03298435
ZINC000002297131
ZINC02297131
ZINC2297131
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