Vitas-M small molecule compound
4-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
Catalog ID
STK042102
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)Oc1ccc(cc1)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 C18H15ClN2O4S MW 390.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN2O4S/c19-15-8-5-13(11-16(15)21(23)24)18(22)25-14-6-3-12(4-7-14)17(26)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2InChIKey
COYMGQNQDUTHLW-UHFFFAOYSA-NSynonyms
(4(PYRROLIDINE1CARBOTHIOYL)PHENYL)4CHLORO3NITROBENZOATE
4(PYRROLIDIN1YLCARBONOTHIOYL)PHENYL4CHLORO3NITROBENZOATE
C1CCN(C1)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC18H15ClN2O4Sc19158513(1116(15)21(23)24)18(22)25146312(4714)17(26)209121020h3811H12910H2
MFCD02904284
O=C(c1ccc(c(c1)(N+)(=O)(O))Cl)Oc1ccc(cc1)C(=S)N1CCCC1
STK042102
ZINC000001161034
ZINC01161034
ZINC1161034
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