Vitas-M small molecule compound

3-methyl-N-{2,2,2-trichloro-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}butanamide

Catalog ID
STL527576
SMILES CC(CC(=O)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)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 C18H24Cl3N3O2 MW 420.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24Cl3N3O2/c1-11(2)6-15(25)22-17(18(19,20)21)23-8-12-7-13(10-23)14-4-3-5-16(26)24(14)9-12/h3-5,11-13,17H,6-10H2,1-2H3,(H,22,25)/t12-,13-,17?/m0/s1
InChIKey
MFGUWGFMUWXDMB-RNWUTADCSA-N
Synonyms
1225071-51-1
1225071511
16398024
3methyl~(N)(222trichloro1((1~(S)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)ethyl)butanamide
3methylN(222trichloro1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)butanamide
3methylN(222trichloro1((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)butanamide
CC(CC(=O)NC(C(Cl)(Cl)Cl)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C
InChI=1SC18H24Cl3N3O2c111(2)615(25)2217(18(1920)21)23812713(1023)1443516(26)24(14)912h35111317H610H212H3(H2225)t121317?m0s1
MFCD03660144
ZINC000002137341
ZINC000002137343

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Available files

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