Vitas-M small molecule compound

{[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid

Catalog ID
STK351037
SMILES OC(=O)CSCn1nc(cc1C)[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 C7H9N3O4S MW 231.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H9N3O4S/c1-5-2-6(10(13)14)8-9(5)4-15-3-7(11)12/h2H,3-4H2,1H3,(H,11,12)
InChIKey
VSQTZAJGBTWAEQ-UHFFFAOYSA-N
Synonyms
1020724-69-9
(((5methyl3nitro1Hpyrazol1yl)methyl)sulfanyl)aceticacid
1020724699
2(((5METHYL3NITRO1HPYRAZOL1YL)METHYL)SULFANYL)ACETICACID
2((5methyl3nitropyrazol1yl)methylsulfanyl)aceticacid
2((5METHYL3NITROPYRAZOLYL)METHYLTHIO)ACETICACID
CC1=CC(=NN1CSCC(=O)O)(N+)(=O)(O)
InChI=1SC7H9N3O4Sc1526(10(13)14)89(5)41537(11)12h2H34H21H3(H1112)
MFCD08558490
OC(=O)CSCn1nc(cc1C)(N+)(=O)(O)
ZINC000012394751
ZINC12394751

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Available files

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