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-(thiophen-2-yl)prop-2-enamide
Catalog ID
STL553120
SMILES O=C(NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)/C=C/c1cccs1
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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 C19H19N3O2S2 MW 385.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O2S2/c23-17(7-6-15-3-2-8-26-15)20-19(25)21-10-13-9-14(12-21)16-4-1-5-18(24)22(16)11-13/h1-8,13-14H,9-12H2,(H,20,23,25)/b7-6+/t13-,14?/m0/s1InChIKey
DKBPNSNKESPGAW-IHZSQBGLSA-NSynonyms
(~(E))~(N)((9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)3thiophen2ylprop2enamide
(2E)N(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)3(thiophen2yl)prop2enamide
(E)N((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)3(thiophen2yl)acrylamide
135640880
InChI=1SC19H19N3O2S2c2317(76153282615)2019(25)211013914(1221)1641518(24)22(16)1113h181314H912H2(H202325)b76+t1314?m0s1
O=C(NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C=Cc1cccs1
ZINC000004565286
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