Vitas-M small molecule compound

dimethyl N-{[(5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}aspartate

Catalog ID
STK687864
SMILES COC(=O)CC(C(=O)OC)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 C18H23N3O5S MW 393.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3O5S/c1-25-16(23)7-13(17(24)26-2)19-18(27)20-8-11-6-12(10-20)14-4-3-5-15(22)21(14)9-11/h3-5,11-13H,6-10H2,1-2H3,(H,19,27)/t11-,12+,13?/m0/s1
InChIKey
AXQDYRNYPVQJIH-LAGVYOHYSA-N
Synonyms
COC(=O)CC(C(=O)OC)NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
COC(=O)CC(C(=O)OC)NC(=S)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
dimethyl2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)succinate
dimethylN(((5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)aspartate
Registry IDs
MFCD07022190
ZINC000002154819
ZINC000002154821

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.