Vitas-M small molecule compound
(1S,5R)-3-[(6-hydroxy-2-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)(phenyl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL544398
SMILES Cc1nc2n(n1)c(c(s2)C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)c1ccccc1)O
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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 C23H23N5O2S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O2S/c1-14-24-23-28(25-14)22(30)21(31-23)20(16-6-3-2-4-7-16)26-11-15-10-17(13-26)18-8-5-9-19(29)27(18)12-15/h2-9,15,17,20,30H,10-13H2,1H3/t15-,17+,20?/m0/s1InChIKey
JYNOHJXNZHZNPG-DAPIJDQBSA-NSynonyms
(1R5S)3((6hydroxy2methylthiazolo(32b)(124)triazol5yl)(phenyl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((6hydroxy2methyl(13)thiazolo(32b)(124)triazol5yl)(phenyl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
Cc1nc2n(n1)c(c(s2)C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)c1ccccc1)O
InChI=1SC23H23N5O2Sc114242328(2514)22(30)21(3123)20(166324716)2611151017(1326)1885919(29)27(18)1215h2915172030H1013H21H3t1517+20?m0s1
ZINC000225417722
ZINC000225417763
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