Vitas-M small molecule compound
N-benzyl-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK771589
SMILES COc1ccc(cc1)c1c(C(=S)NCc2ccccc2)n2c3c1CCCCn3c(n2)c1ccc(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/c1-21-11-13-24(14-12-21)29-33-35-28(30(37)32-20-22-8-4-3-5-9-22)27(23-15-17-25(36-2)18-16-23)26-10-6-7-19-34(29)31(26)35/h3-5,8-9,11-18H,6-7,10,19-20H2,1-2H3,(H,32,37)InChIKey
UXPMRZZFYPHFDD-UHFFFAOYSA-NSynonyms
540774-31-0540774310
CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NCC6=CC=CC=C6
InChI=1SC31H30N4OSc121111324(141221)29333528(30(37)3220228435922)27(23151725(362)181623)2610671934(29)31(26)35h35891118H67101920H212H3(H3237)
MFCD03460697
Nbenzyl1(4methoxyphenyl)4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
Nbenzyl4(4methoxyphenyl)1(4methylphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
ZINC000002249097
ZINC02249097
ZINC2249097
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