Vitas-M small molecule compound
N-[2,2,2-trichloro-1-({[(5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]butanamide
Catalog ID
STL527527
SMILES CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1
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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 C18H23Cl3N4O2S MW 465.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23Cl3N4O2S/c1-2-4-14(26)22-16(18(19,20)21)23-17(28)24-8-11-7-12(10-24)13-5-3-6-15(27)25(13)9-11/h3,5-6,11-12,16H,2,4,7-10H2,1H3,(H,22,26)(H,23,28)/t11-,12?,16?/m0/s1InChIKey
XHCAKSWEVHXUQE-FZWSLVFFSA-NSynonyms
~(N)(222trichloro1(((9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)amino)ethyl)butanamide
16397941
CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C(C@@H)2CC(C1)c1n(C2)c(=O)ccc1
InChI=1SC18H23Cl3N4O2Sc12414(26)2216(18(1920)21)2317(28)24811712(1024)1353615(27)25(13)911h356111216H24710H21H3(H2226)(H2328)t1112?16?m0s1
MFCD03662287
N(222trichloro1((((5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)ethyl)butanamide
N(222trichloro1((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)ethyl)butyramide
ZINC000002129662
ZINC000002129663
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