Vitas-M small molecule compound
3-(morpholin-4-ylcarbonothioyl)phenyl 2,4-dinitrobenzoate
Catalog ID
STL382848
SMILES O=C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Oc1cccc(c1)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 C18H15N3O7S MW 417.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O7S/c22-18(15-5-4-13(20(23)24)11-16(15)21(25)26)28-14-3-1-2-12(10-14)17(29)19-6-8-27-9-7-19/h1-5,10-11H,6-9H2InChIKey
AMIVWHGPYKDMKY-UHFFFAOYSA-NSynonyms
(3(MORPHOLINE4CARBOTHIOYL)PHENYL)24DINITROBENZOATE
24DINITROBENZOICACID3(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
3(morpholin4ylcarbonothioyl)phenyl24dinitrobenzoate
C1COCCN1C(=S)C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H15N3O7Sc2218(155413(20(23)24)1116(15)21(25)26)281431212(1014)17(29)1968279719h151011H69H2
MFCD01062422
O=C(c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))Oc1cccc(c1)C(=S)N1CCOCC1
ZINC000013590265
ZINC13590265
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