Vitas-M small molecule compound
2-ethoxy-4-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-nitrobenzoate
Catalog ID
STK073898
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-])C(=S)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 C20H20N2O5S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O5S/c1-2-26-18-13-15(19(28)21-11-3-4-12-21)7-10-17(18)27-20(23)14-5-8-16(9-6-14)22(24)25/h5-10,13H,2-4,11-12H2,1H3InChIKey
JZULIDNPMVGANG-UHFFFAOYSA-NSynonyms
(2ETHOXY4(PYRROLIDINE1CARBOTHIOYL)PHENYL)4NITROBENZOATE
2ETHOXY4(PYRROLIDIN1YLCARBONOTHIOYL)PHENYL4NITROBENZOATE
CCOC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O))C(=S)N1CCCC1
InChI=1SC20H20N2O5Sc1226181315(19(28)2111341221)71017(18)2720(23)145816(9614)22(24)25h51013H241112H21H3
MFCD08671196
STK073898
ZINC000004600044
ZINC04600044
ZINC4600044
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