Vitas-M small molecule compound

{[2-({3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}amino)-2-oxoethyl]sulfanyl}acetic acid

Catalog ID
STK302106
SMILES OCCSc1cc(NC(=O)CSCC(=O)O)cc(c1)[N+](=O)[O-]

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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 C12H14N2O6S2 MW 346.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O6S2/c15-1-2-22-10-4-8(3-9(5-10)14(19)20)13-11(16)6-21-7-12(17)18/h3-5,15H,1-2,6-7H2,(H,13,16)(H,17,18)
InChIKey
SQPAAFLBKYKJPY-UHFFFAOYSA-N
Synonyms
438230-86-5
((2((3((2hydroxyethyl)sulfanyl)5nitrophenyl)amino)2oxoethyl)sulfanyl)aceticacid
((2(3((2HYDROXYETHYL)SULFANYL)5NITROANILINO)2OXOETHYL)SULFANYL)ACETICACID
2(2(3(2HYDROXYETHYLSULFANYL)5NITROANILINO)2OXOETHYL)SULFANYLACETICACID
438230865
C1=C(C=C(C=C1(N+)(=O)(O))SCCO)NC(=O)CSCC(=O)O
InChI=1SC12H14N2O6S2c1512221048(39(510)14(19)20)1311(16)621712(17)18h3515H1267H2(H1316)(H1718)
MFCD03467093
OCCSc1cc(NC(=O)CSCC(=O)O)cc(c1)(N+)(=O)(O)
ZINC000002765052
ZINC2765052

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Available files

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