Vitas-M small molecule compound
5-(4-methylbenzyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL526407
SMILES Cc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)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 C30H30N4O4 MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O4/c1-20-10-12-21(13-11-20)15-30(27(36)31-29(38)34(28(30)37)24-6-3-2-4-7-24)19-32-16-22-14-23(18-32)25-8-5-9-26(35)33(25)17-22/h2-13,22-23H,14-19H2,1H3,(H,31,36,38)/t22-,23+,30?/m0/s1InChIKey
YDSAOZHTEJCPJE-RRSSYJFLSA-NSynonyms
5(4methylbenzyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)1phenylpyrimidine246(1H3H5H)trione
5(4methylbenzyl)5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)1phenylpyrimidine246(1H3H5H)trione
Cc1ccc(cc1)CC1(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1
InChI=1SC30H30N4O4c120101221(131120)1530(27(36)3129(38)34(28(30)37)246324724)193216221423(1832)2585926(35)33(25)1722h2132223H1419H21H3(H313638)t2223+30?m0s1
MFCD06763812
ZINC000002134555
ZINC000002134557
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