Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-N-{[(1R,5S)-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
STL527930
SMILES COc1ccc(cc1OC)/C=C/C(=O)NC(=S)N1C[C@H]2C[C@@H](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 C23H25N3O4S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O4S/c1-29-19-8-6-15(11-20(19)30-2)7-9-21(27)24-23(31)25-12-16-10-17(14-25)18-4-3-5-22(28)26(18)13-16/h3-9,11,16-17H,10,12-14H2,1-2H3,(H,24,27,31)/b9-7+/t16-,17-/m1/s1InChIKey
NLCSAWDCXBHPNW-ISIQUDIPSA-NSynonyms
(~(E))3(34dimethoxyphenyl)~(N)((1~(R)9~(S))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)prop2enamide
(2E)3(34dimethoxyphenyl)N(((1R5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)prop2enamide
(E)3(34dimethoxyphenyl)N((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)acrylamide
16398207
COc1ccc(cc1OC)C=CC(=O)NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC23H25N3O4Sc129198615(1120(19)302)7921(27)2423(31)2512161017(1425)1843522(28)26(18)1316h39111617H101214H212H3(H242731)b97+t1617m1s1
MFCD03661074
ZINC000100750010
ZINC100750010
Check stock
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Check stock on Vitas-MAvailable files
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