Vitas-M small molecule compound
3-(3-hydroxy-4-oxo-6-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-4H-pyran-2-yl)-3-(4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)propanamide
Catalog ID
STL546716
SMILES NC(=O)CC(c1cc2cccc3c2n(c1=O)CC3)c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O
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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 C31H30N4O6 MW 554.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O6/c32-26(37)12-22(23-10-19-4-1-3-18-7-8-34(28(18)19)31(23)40)30-29(39)25(36)11-21(41-30)16-33-13-17-9-20(15-33)24-5-2-6-27(38)35(24)14-17/h1-6,10-11,17,20,22,39H,7-9,12-16H2,(H2,32,37)/t17-,20+,22?/m0/s1InChIKey
GXCOTERFZJLZME-UNEGGNDLSA-NSynonyms
3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(4oxo24dihydro1Hpyrrolo(321ij)quinolin5yl)propanamide
3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(4oxo12dihydro4Hpyrrolo(321ij)quinolin5yl)propanamide
InChI=1SC31H30N4O6c3226(37)1222(231019413187834(28(18)19)31(23)40)3029(39)25(36)1121(4130)16331317920(1533)2452627(38)35(24)1417h16101117202239H791216H2(H23237)t1720+22?m0s1
NC(=O)CC(c1cc2cccc3c2n(c1=O)CC3)c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O
ZINC000409413737
ZINC000409413742
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.