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-(7-methoxy-1,3-benzodioxol-5-yl)propanamide
Catalog ID
STL547189
SMILES COc1cc(cc2c1OCO2)C(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(=O)N
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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 C28H29N3O8 MW 535.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O8/c1-36-22-6-16(7-23-28(22)38-14-37-23)19(9-24(29)33)27-26(35)21(32)8-18(39-27)13-30-10-15-5-17(12-30)20-3-2-4-25(34)31(20)11-15/h2-4,6-8,15,17,19,35H,5,9-14H2,1H3,(H2,29,33)/t15-,17+,19?/m0/s1InChIKey
PPGUTNCRYCWEDP-NADDXPSSSA-NSynonyms
3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(7methoxybenzo(d)(13)dioxol5yl)propanamide
3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(7methoxy13benzodioxol5yl)propanamide
COc1cc(cc2c1OCO2)C(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(=O)N
InChI=1SC28H29N3O8c13622616(72328(22)38143723)19(924(29)33)2726(35)21(32)818(3927)13301015517(1230)2032425(34)31(20)1115h246815171935H5914H21H3(H22933)t1517+19?m0s1
ZINC000524729356
ZINC000524729357
Check stock
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