Vitas-M small molecule compound
2-(morpholin-4-ylcarbonothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Catalog ID
STL382871
SMILES S=C(c1ccccc1OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)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 C19H17N3O7S MW 431.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O7S/c1-12-15(21(24)25)10-13(11-16(12)22(26)27)19(23)29-17-5-3-2-4-14(17)18(30)20-6-8-28-9-7-20/h2-5,10-11H,6-9H2,1H3InChIKey
AISMRJDXVLPAOY-UHFFFAOYSA-NSynonyms
(2(MORPHOLINE4CARBOTHIOYL)PHENYL)4METHYL35DINITROBENZOATE
2(morpholin4ylcarbonothioyl)phenyl4methyl35dinitrobenzoate
4METHYL35DINITROBENZOICACID2(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)OC2=CC=CC=C2C(=S)N3CCOCC3)(N+)(=O)(O)
InChI=1SC19H17N3O7Sc11215(21(24)25)1013(1116(12)22(26)27)19(23)2917532414(17)18(30)2068289720h251011H69H21H3
MFCD01062442
S=C(c1ccccc1OC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)N1CCOCC1
ZINC000013590268
ZINC13590268
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