Vitas-M small molecule compound

O-propan-2-yl (4-methyl-2-nitrophenyl)carbamothioate

Catalog ID
STK048685
SMILES CC(OC(=S)Nc1ccc(cc1[N+](=O)[O-])C)C

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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 C11H14N2O3S MW 254.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H14N2O3S/c1-7(2)16-11(17)12-9-5-4-8(3)6-10(9)13(14)15/h4-7H,1-3H3,(H,12,17)
InChIKey
KYHPUWLHCASIRX-UHFFFAOYSA-N
Synonyms

CC(OC(=S)Nc1ccc(cc1(N+)(=O)(O))C)C
CC1=CC(=C(C=C1)NC(=S)OC(C)C)(N+)(=O)(O)
InChI=1SC11H14N2O3Sc17(2)1611(17)129548(3)610(9)13(14)15h47H13H3(H1217)
MFCD03145395
OPROPAN2YL(4METHYL2NITROPHENYL)CARBAMOTHIOATE
OPROPAN2YLN(4METHYL2NITROPHENYL)CARBAMOTHIOATE
STK048685
ZINC000004819178
ZINC04819178
ZINC4819178

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Available files

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