Vitas-M small molecule compound
4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate
Catalog ID
STL383899
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)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 C18H16N2O5S MW 372.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O5S/c21-18(14-1-5-15(6-2-14)20(22)23)25-16-7-3-13(4-8-16)17(26)19-9-11-24-12-10-19/h1-8H,9-12H2InChIKey
XCNDUMKZXBBHEJ-UHFFFAOYSA-NSynonyms
(4(MORPHOLINE4CARBOTHIOYL)PHENYL)4NITROBENZOATE
4(morpholin4ylcarbonothioyl)phenyl4nitrobenzoate
4NITROBENZOICACID4(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC18H16N2O5Sc2118(141515(6214)20(22)23)25167313(4816)17(26)1991124121019h18H912H2
MFCD00685123
O=C(c1ccc(cc1)(N+)(=O)(O))Oc1ccc(cc1)C(=S)N1CCOCC1
ZINC000000828128
ZINC00828128
ZINC828128
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