Vitas-M small molecule compound
2,6-dimethoxy-4-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate
Catalog ID
STK048926
SMILES COc1cc(cc(c1OC(=O)c1ccccc1[N+](=O)[O-])OC)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 C20H20N2O6S MW 416.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O6S/c1-26-16-11-13(19(29)21-9-5-6-10-21)12-17(27-2)18(16)28-20(23)14-7-3-4-8-15(14)22(24)25/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3InChIKey
CKXHHMKBNYKICX-UHFFFAOYSA-NSynonyms
(26DIMETHOXY4(PYRROLIDINE1CARBOTHIOYL)PHENYL)2NITROBENZOATE
26DIMETHOXY4(PYRROLIDIN1YLCARBONOTHIOYL)PHENYL2NITROBENZOATE
COC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2(N+)(=O)(O))OC)C(=S)N3CCCC3
COc1cc(cc(c1OC(=O)c1ccccc1(N+)(=O)(O))OC)C(=S)N1CCCC1
InChI=1SC20H20N2O6Sc126161113(19(29)219561021)1217(272)18(16)2820(23)14734815(14)22(24)25h34781112H56910H212H3
MFCD08051015
STK048926
ZINC000008206700
ZINC08206700
ZINC8206700
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