Vitas-M small molecule compound

5-(4-methoxybenzyl)-1,3-dimethyl-5-{[(1S,5R)-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
STL558312
SMILES 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 C26H30N4O5 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O5/c1-27-23(32)26(24(33)28(2)25(27)34,12-17-7-9-20(35-3)10-8-17)16-29-13-18-11-19(15-29)21-5-4-6-22(31)30(21)14-18/h4-10,18-19H,11-16H2,1-3H3/t18-,19+/m0/s1
InChIKey
MPSIKNFPTHKSLH-RBUKOAKNSA-N
Synonyms

5(4methoxybenzyl)13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
5(4methoxybenzyl)13dimethyl5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
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
InChI=1SC26H30N4O5c12723(32)26(24(33)28(2)25(27)3412177920(353)10817)162913181119(1529)2154622(31)30(21)1418h4101819H1116H213H3t1819+m0s1
MFCD01544409
ZINC000019703048

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Available files

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