Vitas-M small molecule compound
4-(piperidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
Catalog ID
STK064675
SMILES S=C(c1ccc(cc1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)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 C19H17ClN2O4S MW 404.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2O4S/c20-16-9-6-14(12-17(16)22(24)25)19(23)26-15-7-4-13(5-8-15)18(27)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2InChIKey
KEDBICKDFXBKKY-UHFFFAOYSA-NSynonyms
(4(PIPERIDINE1CARBOTHIOYL)PHENYL)4CHLORO3NITROBENZOATE
4(PIPERIDIN1YLCARBONOTHIOYL)PHENYL4CHLORO3NITROBENZOATE
C1CCN(CC1)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC19H17ClN2O4Sc20169614(1217(16)22(24)25)19(23)26157413(5815)18(27)21102131121h4912H131011H2
MFCD02904259
S=C(c1ccc(cc1)OC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)N1CCCCC1
STK064675
ZINC000005862682
ZINC05862682
ZINC5862682
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