Vitas-M small molecule compound
(2E)-3-(4-chlorophenyl)-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
STL528016
SMILES O=C(NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)/C=C/c1ccc(cc1)Cl
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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 C21H20ClN3O2S MW 413.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O2S/c22-17-7-4-14(5-8-17)6-9-19(26)23-21(28)24-11-15-10-16(13-24)18-2-1-3-20(27)25(18)12-15/h1-9,15-16H,10-13H2,(H,23,26,28)/b9-6+/t15-,16-/m1/s1InChIKey
HLARKQDFTHYYRL-HKFHSAMXSA-NSynonyms
(~(E))3(4chlorophenyl)~(N)((1~(R)9~(S))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)prop2enamide
(2E)3(4chlorophenyl)N(((1R5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)prop2enamide
(E)3(4chlorophenyl)N((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)acrylamide
16398204
InChI=1SC21H20ClN3O2Sc22177414(5817)6919(26)2321(28)2411151016(1324)1821320(27)25(18)1215h191516H1013H2(H232628)b96+t1516m1s1
MFCD03661049
O=C(NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C=Cc1ccc(cc1)Cl
ZINC000100749979
ZINC100749979
Check stock
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Check stock on Vitas-MAvailable files
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