Vitas-M small molecule compound
2-methoxy-5-(morpholin-4-ylcarbonothioyl)phenyl 3-nitrobenzoate
Catalog ID
STL383905
SMILES COc1ccc(cc1OC(=O)c1cccc(c1)[N+](=O)[O-])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 C19H18N2O6S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O6S/c1-25-16-6-5-13(18(28)20-7-9-26-10-8-20)12-17(16)27-19(22)14-3-2-4-15(11-14)21(23)24/h2-6,11-12H,7-10H2,1H3InChIKey
GUDNUZPBQABJLL-UHFFFAOYSA-NSynonyms
(2METHOXY5(MORPHOLINE4CARBOTHIOYL)PHENYL)3NITROBENZOATE
2methoxy5(morpholin4ylcarbonothioyl)phenyl3nitrobenzoate
2METHOXY5(MORPHOLIN4YLTHIOXOMETHYL)PHENYL3NITROBENZOATE
3NITROBENZOICACID2METHOXY5(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
COc1ccc(cc1OC(=O)c1cccc(c1)(N+)(=O)(O))C(=S)N1CCOCC1
InChI=1SC19H18N2O6Sc125166513(18(28)20792610820)1217(16)2719(22)1432415(1114)21(23)24h261112H710H21H3
MFCD01062402
ZINC000000866306
ZINC00866306
ZINC866306
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