Vitas-M small molecule compound
methyl 3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-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)propanoate
Catalog ID
STL544950
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc2c(c1)n(C)c(=O)n2C
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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 C30H32N4O7 MW 560.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O7/c1-31-23-8-7-18(10-24(23)32(2)30(31)39)21(12-27(37)40-3)29-28(38)25(35)11-20(41-29)16-33-13-17-9-19(15-33)22-5-4-6-26(36)34(22)14-17/h4-8,10-11,17,19,21,38H,9,12-16H2,1-3H3/t17-,19+,21?/m0/s1InChIKey
NFPKQZUZCZYHKS-FOHCZPNYSA-NSynonyms
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc2c(c1)n(C)c(=O)n2C
InChI=1SC30H32N4O7c131238718(1024(23)32(2)30(31)39)21(1227(37)403)2928(38)25(35)1120(4129)16331317919(1533)2254626(36)34(22)1417h48101117192138H91216H213H3t1719+21?m0s1
methyl3(13dimethyl2oxo23dihydro1Hbenzimidazol5yl)3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)propanoate
methyl3(13dimethyl2oxo23dihydro1Hbenzo(d)imidazol5yl)3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)propanoate
ZINC000225421150
ZINC000225421184
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.