Vitas-M small molecule compound
4-(morpholin-4-ylcarbonothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Catalog ID
STK753383
SMILES O=C(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)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 C19H17N3O7S MW 431.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O7S/c1-12-16(21(24)25)10-14(11-17(12)22(26)27)19(23)29-15-4-2-13(3-5-15)18(30)20-6-8-28-9-7-20/h2-5,10-11H,6-9H2,1H3InChIKey
BNXJGPIXFDFCEU-UHFFFAOYSA-NSynonyms
(4(MORPHOLINE4CARBOTHIOYL)PHENYL)4METHYL35DINITROBENZOATE
4(morpholin4ylcarbonothioyl)phenyl4methyl35dinitrobenzoate
4(MORPHOLIN4YLCARBOTHIOYL)PHENYL4METHYL35DINITROBENZOATE
4METHYL35DINITROBENZOICACID4(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)OC2=CC=C(C=C2)C(=S)N3CCOCC3)(N+)(=O)(O)
InChI=1SC19H17N3O7Sc11216(21(24)25)1014(1117(12)22(26)27)19(23)29154213(3515)18(30)2068289720h251011H69H21H3
MFCD00823611
O=C(c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)Oc1ccc(cc1)C(=S)N1CCOCC1
ZINC000002181646
ZINC02181646
ZINC2181646
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