Vitas-M small molecule compound
(1S,5S)-3-[(6-hydroxy-2-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)(thiophen-3-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL545349
SMILES Cc1nc2n(n1)c(c(s2)C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)c1ccsc1)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 C21H21N5O2S2 MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S2/c1-12-22-21-26(23-12)20(28)19(30-21)18(14-5-6-29-11-14)24-8-13-7-15(10-24)16-3-2-4-17(27)25(16)9-13/h2-6,11,13,15,18,28H,7-10H2,1H3/t13-,15+,18?/m0/s1InChIKey
REJVJEAFEJEGIX-POXCNRTASA-NSynonyms
(1R5S)3((6hydroxy2methylthiazolo(32b)(124)triazol5yl)(thiophen3yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5S)3((6hydroxy2methyl(13)thiazolo(32b)(124)triazol5yl)(thiophen3yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
Cc1nc2n(n1)c(c(s2)C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)c1ccsc1)O
InChI=1SC21H21N5O2S2c112222126(2312)20(28)19(3021)18(1456291114)24813715(1024)1632417(27)25(16)913h261113151828H710H21H3t1315+18?m0s1
ZINC000409413689
ZINC000409413691
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