Vitas-M small molecule compound
4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
Catalog ID
STK098663
SMILES S=C(c1ccc(cc1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)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 C18H15ClN2O5S MW 406.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN2O5S/c19-15-6-3-13(11-16(15)21(23)24)18(22)26-14-4-1-12(2-5-14)17(27)20-7-9-25-10-8-20/h1-6,11H,7-10H2InChIKey
FBIXWOGNWFZOKV-UHFFFAOYSA-NSynonyms
(4(MORPHOLINE4CARBOTHIOYL)PHENYL)4CHLORO3NITROBENZOATE
4(MORPHOLIN4YLCARBONOTHIOYL)PHENYL4CHLORO3NITROBENZOATE
C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC18H15ClN2O5Sc19156313(1116(15)21(23)24)18(22)26144112(2514)17(27)20792510820h1611H710H2
MFCD02904252
S=C(c1ccc(cc1)OC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)N1CCOCC1
STK098663
ZINC000004677270
ZINC04677270
ZINC4677270
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