Vitas-M small molecule compound
diethyl (4R,5R)-2-(2-amino-1-cyano-2-oxoethylidene)-1,3-dithiolane-4,5-dicarboxylate
Catalog ID
STK331832
SMILES CCOC(=O)[C@H]1S/C(=C(\C(=O)N)/C#N)/S[C@@H]1C(=O)OCC
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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 C12H14N2O5S2 MW 330.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O5S2/c1-3-18-10(16)7-8(11(17)19-4-2)21-12(20-7)6(5-13)9(14)15/h7-8H,3-4H2,1-2H3,(H2,14,15)/t7-,8-/m0/s1InChIKey
FWICPVXIYLNNIG-YUMQZZPRSA-NSynonyms
CCOC(=O)(C@H)1SC(=C(C(=O)N)C#N)S(C@@H)1C(=O)OCC
CCOC(=O)C1C(SC(=C(C#N)C(=O)N)S1)C(=O)OCC
diethyl(4R5R)2(2amino1cyano2oxoethylidene)13dithiolane45dicarboxylate
InChI=1SC12H14N2O5S2c131810(16)78(11(17)1942)2112(207)6(513)9(14)15h78H34H212H3(H21415)t78m0s1
MFCD13368614
ZINC000018194659
ZINC18194659
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