Vitas-M small molecule compound
2-ethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 2-chloro-4-nitrobenzoate
Catalog ID
STK072907
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1Cl)[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 C21H21ClN2O5S MW 448.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O5S/c1-2-28-19-12-14(20(30)23-10-4-3-5-11-23)6-9-18(19)29-21(25)16-8-7-15(24(26)27)13-17(16)22/h6-9,12-13H,2-5,10-11H2,1H3InChIKey
QKFWIEVBPYVHMR-UHFFFAOYSA-NSynonyms
(2ETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)2CHLORO4NITROBENZOATE
2ETHOXY4(PIPERIDIN1YLCARBONOTHIOYL)PHENYL2CHLORO4NITROBENZOATE
CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))Cl
CCOc1cc(ccc1OC(=O)c1ccc(cc1Cl)(N+)(=O)(O))C(=S)N1CCCCC1
InChI=1SC21H21ClN2O5Sc1228191214(20(30)23104351123)6918(19)2921(25)168715(24(26)27)1317(16)22h691213H251011H21H3
MFCD03992721
STK072907
ZINC000001158529
ZINC01158529
ZINC1158529
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