Vitas-M small molecule compound
3-(2-{[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}ethyl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Catalog ID
STL568615
SMILES NC(=O)C1C2CC(N(C1=O)CCSCc1nc(O)c3c(n1)sc(c3C)C)(C)Oc1c2cccc1
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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 C24H26N4O4S2 MW 498.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O4S2/c1-12-13(2)34-22-18(12)21(30)26-17(27-22)11-33-9-8-28-23(31)19(20(25)29)15-10-24(28,3)32-16-7-5-4-6-14(15)16/h4-7,15,19H,8-11H2,1-3H3,(H2,25,29)(H,26,27,30)InChIKey
FWYGTDFEGNOFLM-UHFFFAOYSA-NSynonyms
10(2((56dimethyl4oxo3Hthieno(23d)pyrimidin2yl)methylsulfanyl)ethyl)9methyl11oxo8oxa10azatricyclo(731027)trideca246triene12carboxamide
127254680
3(2(((4hydroxy56dimethylthieno(23d)pyrimidin2yl)methyl)sulfanyl)ethyl)2methyl4oxo3456tetrahydro2H26methano13benzoxazocine5carboxamide
InChI=1SC24H26N4O4S2c11213(2)342218(12)21(30)2617(2722)1133982823(31)19(20(25)29)151024(283)3216754614(15)16h471519H811H213H3(H22529)(H262730)
MFCD32653685
ZINC000604418676
ZINC000604418677
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