Vitas-M small molecule compound
2-chloro-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
Catalog ID
STK099655
SMILES CCOc1cc(cc(c1OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)Cl)C(=S)N1CCOCC1
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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 C20H18Cl2N2O6S MW 485.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl2N2O6S/c1-2-29-17-11-13(19(31)23-5-7-28-8-6-23)9-15(22)18(17)30-20(25)12-3-4-14(21)16(10-12)24(26)27/h3-4,9-11H,2,5-8H2,1H3InChIKey
DPZYWNLVSFPKEH-UHFFFAOYSA-NSynonyms
(2CHLORO6ETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)4CHLORO3NITROBENZOATE
2CHLORO6ETHOXY4(MORPHOLIN4YLCARBONOTHIOYL)PHENYL4CHLORO3NITROBENZOATE
CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Cl)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
CCOc1cc(cc(c1OC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)Cl)C(=S)N1CCOCC1
InChI=1SC20H18Cl2N2O6Sc1229171113(19(31)2357288623)915(22)18(17)3020(25)123414(21)16(1012)24(26)27h34911H258H21H3
MFCD02904262
STK099655
ZINC000009762241
ZINC09762241
ZINC9762241
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