Vitas-M small molecule compound
diethyl (2E,2'E)-3,3'-[(3-amino-2-cyano-3-oxoprop-1-ene-1,1-diyl)disulfanediyl]bisprop-2-enoate
Catalog ID
STK331839
SMILES CCOC(=O)/C=C/S/C(=C(\C(=O)N)/C#N)/S/C=C/C(=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 C14H16N2O5S2 MW 356.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O5S2/c1-3-20-11(17)5-7-22-14(10(9-15)13(16)19)23-8-6-12(18)21-4-2/h5-8H,3-4H2,1-2H3,(H2,16,19)/b7-5+,8-6+InChIKey
NLFBCYMMUAKCPC-KQQUZDAGSA-NSynonyms
CCOC(=O)C=CSC(=C(C#N)C(=O)N)SC=CC(=O)OCC
CCOC(=O)C=CSC(=C(C(=O)N)C#N)SC=CC(=O)OCC
diethyl(2E2E)33((3amino2cyano3oxoprop1ene11diyl)disulfanediyl)bisprop2enoate
ethyl(E)3(3amino2cyano1((E)3ethoxy3oxoprop1enyl)sulfanyl3oxoprop1enyl)sulfanylprop2enoate
InChI=1SC14H16N2O5S2c132011(17)572214(10(915)13(16)19)238612(18)2142h58H34H212H3(H21619)b75+86+
MFCD09962620
ZINC000018194667
ZINC18194667
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