Vitas-M small molecule compound
4-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate
Catalog ID
STK052752
SMILES S=C(c1ccc(cc1)OC(=O)c1ccccc1[N+](=O)[O-])N1CCCC1
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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 C18H16N2O4S MW 356.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4S/c21-18(15-5-1-2-6-16(15)20(22)23)24-14-9-7-13(8-10-14)17(25)19-11-3-4-12-19/h1-2,5-10H,3-4,11-12H2InChIKey
KPKUSLDRGBLXNP-UHFFFAOYSA-NSynonyms
(4(PYRROLIDINE1CARBOTHIOYL)PHENYL)2NITROBENZOATE
4(PYRROLIDIN1YLCARBONOTHIOYL)PHENYL2NITROBENZOATE
C1CCN(C1)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC18H16N2O4Sc2118(15512616(15)20(22)23)24149713(81014)17(25)1911341219h12510H341112H2
MFCD08051173
S=C(c1ccc(cc1)OC(=O)c1ccccc1(N+)(=O)(O))N1CCCC1
STK052752
ZINC000013943761
ZINC13943761
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