Vitas-M small molecule compound
2-ethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
Catalog ID
STK074954
SMILES CCOc1cc(ccc1OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)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/c1-2-28-19-13-14(20(30)23-10-4-3-5-11-23)7-9-18(19)29-21(25)15-6-8-16(22)17(12-15)24(26)27/h6-9,12-13H,2-5,10-11H2,1H3InChIKey
AMJIDHASIGBEDK-UHFFFAOYSA-NSynonyms
(2ETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)4CHLORO3NITROBENZOATE
2ETHOXY4(PIPERIDIN1YLCARBONOTHIOYL)PHENYL4CHLORO3NITROBENZOATE
2ETHOXY4(PIPERIDIN1YLCARBOTHIOYL)PHENYL4CHLORO3NITROBENZOATE
CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)C(=S)N1CCCCC1
InChI=1SC21H21ClN2O5Sc1228191314(20(30)23104351123)7918(19)2921(25)156816(22)17(1215)24(26)27h691213H251011H21H3
MFCD02904272
STK074954
ZINC000001163393
ZINC01163393
ZINC1163393
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