Vitas-M small molecule compound
(2E)-4-oxo-4-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]but-2-enoic acid
Catalog ID
STL526973
SMILES OC(=O)/C=C/C(=O)N1C[C@H]2C[C@@H](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 C15H16N2O4 MW 288.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O4/c18-13(4-5-15(20)21)16-7-10-6-11(9-16)12-2-1-3-14(19)17(12)8-10/h1-5,10-11H,6-9H2,(H,20,21)/b5-4+/t10-,11+/m0/s1InChIKey
TZKNZTLBVOBMRH-BXXZLRJFSA-NSynonyms
(~(E))4oxo4((1~(R)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)but2enoicacid
(2E)4oxo4((1R5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)but2enoicacid
(E)4oxo4((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)but2enoicacid
905026
InChI=1SC15H16N2O4c1813(4515(20)21)16710611(916)1221314(19)17(12)810h151011H69H2(H2021)b54+t1011+m0s1
MFCD03006046
OC(=O)C=CC(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
ZINC000000486142
ZINC486142
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