Vitas-M small molecule compound
(1R,5S)-3-({[4-hydroxy-5-(4-methylbenzyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL536784
SMILES Cc1ccc(cc1)Cc1c(O)nc([nH]c1=O)SCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C25H26N4O4S MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4S/c1-15-5-7-16(8-6-15)10-19-23(32)26-25(27-24(19)33)34-14-22(31)28-11-17-9-18(13-28)20-3-2-4-21(30)29(20)12-17/h2-8,17-18H,9-14H2,1H3,(H2,26,27,32,33)/t17-,18+/m0/s1InChIKey
DNHIOEQKHXRSER-ZWKOTPCHSA-NSynonyms
(1R5S)3(((4hydroxy5(4methylbenzyl)6oxo16dihydropyrimidin2yl)sulfanyl)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)3(2((4hydroxy5(4methylbenzyl)6oxo16dihydropyrimidin2yl)thio)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
Cc1ccc(cc1)Cc1c(O)nc((nH)c1=O)SCC(=O)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC25H26N4O4Sc1155716(8615)101923(32)2625(2724(19)33)341422(31)281117918(1328)2032421(30)29(20)1217h281718H914H21H3(H226273233)t1718+m0s1
MFCD06494544
ZINC000100769979
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