Vitas-M small molecule compound
N,N'-bis[2-(2,4-dimethyl-9H-pyrido[2,3-b]indol-9-yl)ethyl]-9,10-dihydrobis[1,2,3]triazolo[5,1-b:1',5'-f][1,3,6]thiadiazepine-3,5-dicarboxamide
Catalog ID
STL441182
SMILES Cc1cc(C)c2c(n1)n(CCNC(=O)c1nnn3c1Sc1n(CC3)nnc1C(=O)NCCn1c3ccccc3c3c1nc(C)cc3C)c1c2cccc1
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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 C38H36N12O2S MW 724.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H36N12O2S/c1-21-19-23(3)41-33-29(21)25-9-5-7-11-27(25)47(33)15-13-39-35(51)31-37-49(45-43-31)17-18-50-38(53-37)32(44-46-50)36(52)40-14-16-48-28-12-8-6-10-26(28)30-22(2)20-24(4)42-34(30)48/h5-12,19-20H,13-18H2,1-4H3,(H,39,51)(H,40,52)InChIKey
YUYSLGSSTAEBRX-UHFFFAOYSA-NSynonyms
1N10Nbis(2(24dimethylpyrido(23b)indol9yl)ethyl)56dihydroditriazolo(14b14f)(136)thiadiazepine110dicarboxamide
CC1=CC(=NC2=C1C3=CC=CC=C3N2CCNC(=O)C4=C5N(CCN6C(=C(N=N6)C(=O)NCCN7C8=CC=CC=C8C9=C7N=C(C=C9C)C)S5)N=N4)C
InChI=1SC38H36N12O2Sc1211923(3)413329(21)259571127(25)47(33)15133935(51)313749(454331)17185038(5337)32(444650)36(52)401416482812861026(28)3022(2)2024(4)4234(30)48h5121920H1318H214H3(H3951)(H4052)
MFCD07756610
NNbis(2(24dimethyl9Hpyrido(23b)indol9yl)ethyl)910dihydrobis(123)triazolo(51b15f)(136)thiadiazepine35dicarboxamide
ZINC000150349594
ZINC150349594
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