Vitas-M small molecule compound

5-[4-(2-hydroxy-2-phenylethoxy)benzyl]-1,3-dimethyl-5-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STL526744
SMILES OC(c1ccccc1)COc1ccc(cc1)CC1(CN2C[C@@H]3C[C@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

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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 C33H36N4O6 MW 584.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N4O6/c1-34-30(40)33(31(41)35(2)32(34)42,21-36-17-23-15-25(19-36)27-9-6-10-29(39)37(27)18-23)16-22-11-13-26(14-12-22)43-20-28(38)24-7-4-3-5-8-24/h3-14,23,25,28,38H,15-21H2,1-2H3/t23-,25+,28?/m1/s1
InChIKey
VOYKGCIIGXHHRT-WBUDJUEKSA-N
Synonyms

5(4(2hydroxy2phenylethoxy)benzyl)13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
5(4(2hydroxy2phenylethoxy)benzyl)13dimethyl5(((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
InChI=1SC33H36N4O6c13430(40)33(31(41)35(2)32(34)42213617231525(1936)27961029(39)37(27)1823)1622111326(141222)432028(38)247435824h31423252838H1521H212H3t2325+28?m1s1
OC(c1ccccc1)COc1ccc(cc1)CC1(CN2C(C@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
ZINC000103542804
ZINC000103542808

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Available files

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