Vitas-M small molecule compound

2,6-dimethoxy-4-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate

Catalog ID
STK062183
SMILES COc1cc(cc(c1OC(=O)c1ccc(cc1[N+](=O)[O-])Cl)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 C20H19ClN2O6S MW 450.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O6S/c1-27-16-9-12(19(30)22-7-3-4-8-22)10-17(28-2)18(16)29-20(24)14-6-5-13(21)11-15(14)23(25)26/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKey
WBYPGHLVLSWLKM-UHFFFAOYSA-N
Synonyms

(26DIMETHOXY4(PYRROLIDINE1CARBOTHIOYL)PHENYL)4CHLORO2NITROBENZOATE
26DIMETHOXY4(PYRROLIDIN1YLCARBONOTHIOYL)PHENYL4CHLORO2NITROBENZOATE
COC1=CC(=CC(=C1OC(=O)C2=C(C=C(C=C2)Cl)(N+)(=O)(O))OC)C(=S)N3CCCC3
COc1cc(cc(c1OC(=O)c1ccc(cc1(N+)(=O)(O))Cl)OC)C(=S)N1CCCC1
InChI=1SC20H19ClN2O6Sc12716912(19(30)22734822)1017(282)18(16)2920(24)146513(21)1115(14)23(25)26h56911H3478H212H3
MFCD08051599
STK062183
ZINC000009553631
ZINC09553631
ZINC9553631

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Available files

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