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-phenylpropanamide
Catalog ID
STL548422
SMILES NC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccccc1
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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 C26H27N3O5 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5/c27-23(31)11-20(17-5-2-1-3-6-17)26-25(33)22(30)10-19(34-26)15-28-12-16-9-18(14-28)21-7-4-8-24(32)29(21)13-16/h1-8,10,16,18,20,33H,9,11-15H2,(H2,27,31)/t16-,18+,20?/m0/s1InChIKey
RTSMHHAKSBKRLB-HYJPWMOMSA-NSynonyms
3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3phenylpropanamide
3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3phenylpropanamide
InChI=1SC26H27N3O5c2723(31)1120(175213617)2625(33)22(30)1019(3426)15281216918(1428)2174824(32)29(21)1316h181016182033H91115H2(H22731)t1618+20?m0s1
NC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccccc1
ZINC000253412708
ZINC000253412709
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