Vitas-M small molecule compound
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK771586
SMILES COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccccc1C)nc3c1ccc(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 C31H30N4OS MW 506.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4OS/c1-20-11-13-23(14-12-20)29-33-35-28(30(37)32-26-10-5-4-8-21(26)2)27(22-15-17-24(36-3)18-16-22)25-9-6-7-19-34(29)31(25)35/h4-5,8,10-18H,6-7,9,19H2,1-3H3,(H,32,37)InChIKey
VPHDPUMFFIZNKB-UHFFFAOYSA-NSynonyms
540774-21-81(4methoxyphenyl)N(otolyl)4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4methoxyphenyl)N(2methylphenyl)1(4methylphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
540774218
CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NC6=CC=CC=C6C
InChI=1SC31H30N4OSc120111323(141220)29333528(30(37)32261054821(26)2)27(22151724(363)181622)259671934(29)31(25)35h4581018H67919H213H3(H3237)
MFCD03460680
ZINC000002253981
ZINC02253981
ZINC2253981
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