Vitas-M small molecule compound
(1S,5S)-N-[(2S)-1-{[4-(acetylamino)phenyl]amino}-1-oxo-3-phenylpropan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL536830
SMILES CC(=O)Nc1ccc(cc1)NC(=O)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
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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 C29H31N5O4 MW 513.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O4/c1-19(35)30-23-10-12-24(13-11-23)31-28(37)25(15-20-6-3-2-4-7-20)32-29(38)33-16-21-14-22(18-33)26-8-5-9-27(36)34(26)17-21/h2-13,21-22,25H,14-18H2,1H3,(H,30,35)(H,31,37)(H,32,38)/t21-,22+,25-/m0/s1InChIKey
UIZBDNLQEIRAGG-FBLLAGFSSA-NSynonyms
(1R5R)N((S)1((4acetamidophenyl)amino)1oxo3phenylpropan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((4(acetylamino)phenyl)amino)1oxo3phenylpropan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
CC(=O)Nc1ccc(cc1)NC(=O)(C@@H)(NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
InChI=1SC29H31N5O4c119(35)3023101224(131123)3128(37)25(15206324720)3229(38)3316211422(1833)2685927(36)34(26)1721h213212225H1418H21H3(H3035)(H3137)(H3238)t2122+25m0s1
ZINC000002095149
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