Vitas-M small molecule compound
4-nitro-N-{2,2,2-trichloro-1-[(5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide
Catalog ID
STL527563
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])NC(C(Cl)(Cl)Cl)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 C20H19Cl3N4O4 MW 485.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Cl3N4O4/c21-20(22,23)19(24-18(29)13-4-6-15(7-5-13)27(30)31)25-9-12-8-14(11-25)16-2-1-3-17(28)26(16)10-12/h1-7,12,14,19H,8-11H2,(H,24,29)/t12-,14?,19?/m0/s1InChIKey
DKARRXHRHDLABI-YXZFSOQLSA-NSynonyms
16398058
4nitro~(N)(222trichloro1((9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)ethyl)benzamide
4nitroN(222trichloro1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)benzamide
4nitroN(222trichloro1((5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)benzamide
InChI=1SC20H19Cl3N4O4c2120(2223)19(2418(29)134615(7513)27(30)31)25912814(1125)1621317(28)26(16)1012h17121419H811H2(H2429)t1214?19?m0s1
MFCD06763880
O=C(c1ccc(cc1)(N+)(=O)(O))NC(C(Cl)(Cl)Cl)N1C(C@@H)2CC(C1)c1n(C2)c(=O)ccc1
ZINC000033928838
ZINC000043751619
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