Vitas-M small molecule compound

diethyl 3,3'-(disulfanediyldimethanediyl)bis(5-methyl-1H-pyrazole-4-carboxylate)

Catalog ID
STK279972
SMILES CCOC(=O)c1c(CSSCc2n[nH]c(c2C(=O)OCC)C)n[nH]c1C

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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 C16H22N4O4S2 MW 398.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N4O4S2/c1-5-23-15(21)13-9(3)17-19-11(13)7-25-26-8-12-14(10(4)18-20-12)16(22)24-6-2/h5-8H2,1-4H3,(H,17,19)(H,18,20)
InChIKey
NGSOXPJBZMKINO-UHFFFAOYSA-N
Synonyms
296266-49-4
296266494
CCOC(=O)C1=C(NN=C1CSSCC2=NNC(=C2C(=O)OCC)C)C
CCOC(=O)c1c(CSSCc2n(nH)c(c2C(=O)OCC)C)n(nH)c1C
diethyl33(disulfanediylbis(methylene))bis(5methyl1Hpyrazole4carboxylate)
diethyl33(disulfanediyldimethanediyl)bis(5methyl1Hpyrazole4carboxylate)
ETHYL3((((4(ETHOXYCARBONYL)5METHYL1HPYRAZOL3YL)METHYL)DISULFANYL)METHYL)5METHYL1HPYRAZOLE4CARBOXYLATE
ETHYL3(((4ETHOXYCARBONYL5METHYL1HPYRAZOL3YL)METHYLDISULFANYL)METHYL)5METHYL1HPYRAZOLE4CARBOXYLATE
InChI=1SC16H22N4O4S2c152315(21)139(3)171911(13)7252681214(10(4)182012)16(22)2462h58H214H3(H1719)(H1820)
MFCD00366409
ZINC000004579494
ZINC04579494
ZINC4579494

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Available files

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