Vitas-M small molecule compound
(2E)-N-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}-3-phenylprop-2-enamide
Catalog ID
STL553143
SMILES O=C(NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)/C=C/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 C21H21N3O2S MW 379.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2S/c25-19(10-9-15-5-2-1-3-6-15)22-21(27)23-12-16-11-17(14-23)18-7-4-8-20(26)24(18)13-16/h1-10,16-17H,11-14H2,(H,22,25,27)/b10-9+/t16-,17?/m0/s1InChIKey
BYHZMBFSYXBJLB-CUTJZNNXSA-NSynonyms
(~(E))~(N)((9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)3phenylprop2enamide
(2E)N(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)3phenylprop2enamide
135640884
InChI=1SC21H21N3O2Sc2519(109155213615)2221(27)2312161117(1423)1874820(26)24(18)1316h1101617H1114H2(H222527)b109+t1617?m0s1
N((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)cinnamamide
O=C(NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C=Cc1ccccc1
ZINC000016041814
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