Vitas-M small molecule compound
(1S,5S)-N-[(2S)-3-methyl-1-{[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-1-oxobutan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL545708
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)N[C@H](C(=O)NCc1cccn1C)C(C)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 C23H31N5O3 MW 425.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N5O3/c1-15(2)21(22(30)24-11-18-6-5-9-26(18)3)25-23(31)27-12-16-10-17(14-27)19-7-4-8-20(29)28(19)13-16/h4-9,15-17,21H,10-14H2,1-3H3,(H,24,30)(H,25,31)/t16-,17+,21-/m0/s1InChIKey
SRCKMQOXVIGDOG-FVJLSDCUSA-NSynonyms
(1R5R)N((S)3methyl1(((1methyl1Hpyrrol2yl)methyl)amino)1oxobutan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)3methyl1(((1methyl1Hpyrrol2yl)methyl)amino)1oxobutan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
InChI=1SC23H31N5O3c115(2)21(22(30)24111865926(18)3)2523(31)2712161017(1427)1974820(29)28(19)1316h49151721H1014H213H3(H2430)(H2531)t1617+21m0s1
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)N(C@H)(C(=O)NCc1cccn1C)C(C)C
ZINC000225409549
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