Vitas-M small molecule compound

2-ethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 3-nitrobenzoate

Catalog ID
STL383915
SMILES CCOc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])C(=S)N1CCCCC1

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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 C21H22N2O5S MW 414.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5S/c1-2-27-19-14-15(20(29)22-11-4-3-5-12-22)9-10-18(19)28-21(24)16-7-6-8-17(13-16)23(25)26/h6-10,13-14H,2-5,11-12H2,1H3
InChIKey
DMAAOJBIYUSMKH-UHFFFAOYSA-N
Synonyms

(2ETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)3NITROBENZOATE
2ethoxy4(piperidin1ylcarbonothioyl)phenyl3nitrobenzoate
3NITROBENZOICACID2ETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C(=S)N1CCCCC1
InChI=1SC21H22N2O5Sc1227191415(20(29)22114351222)91018(19)2821(24)1676817(1316)23(25)26h6101314H251112H21H3
MFCD01062226
ZINC000000866291
ZINC00866291
ZINC866291

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Available files

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