Vitas-M small molecule compound
(2E)-3-(4-methoxyphenyl)-N-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}prop-2-enamide
Catalog ID
STL553102
SMILES COc1ccc(cc1)/C=C/C(=O)NC(=S)N1C[C@H]2CC(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 C22H23N3O3S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O3S/c1-28-18-8-5-15(6-9-18)7-10-20(26)23-22(29)24-12-16-11-17(14-24)19-3-2-4-21(27)25(19)13-16/h2-10,16-17H,11-14H2,1H3,(H,23,26,29)/b10-7+/t16-,17?/m0/s1InChIKey
PXKQLHCMZSGNRK-YFWPLJGRSA-NSynonyms
(~(E))3(4methoxyphenyl)~(N)((9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)prop2enamide
(2E)3(4methoxyphenyl)N(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)prop2enamide
(E)3(4methoxyphenyl)N((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)acrylamide
135640876
COc1ccc(cc1)C=CC(=O)NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC22H23N3O3Sc128188515(6918)71020(26)2322(29)2412161117(1424)1932421(27)25(19)1316h2101617H1114H21H3(H232629)b107+t1617?m0s1
ZINC000016041695
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