Vitas-M small molecule compound
methyl 5-{[(3-methyl-4-nitrophenyl)carbonyl]amino}-2-(morpholin-4-yl)benzoate
Catalog ID
STK183456
SMILES COC(=O)c1cc(ccc1N1CCOCC1)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-]
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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 C20H21N3O6 MW 399.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O6/c1-13-11-14(3-5-17(13)23(26)27)19(24)21-15-4-6-18(16(12-15)20(25)28-2)22-7-9-29-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,21,24)InChIKey
CAUZTBYSHQEGRG-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)(N+)(=O)(O)
COC(=O)c1cc(ccc1N1CCOCC1)NC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
InChI=1SC20H21N3O6c1131114(3517(13)23(26)27)19(24)21154618(16(1215)20(25)282)22792910822h361112H710H212H3(H2124)
METHYL5(((3METHYL4NITROPHENYL)CARBONYL)AMINO)2(MORPHOLIN4YL)BENZOATE
METHYL5((3METHYL4NITROBENZOYL)AMINO)2MORPHOLIN4YLBENZOATE
MFCD06664346
ZINC000004710774
ZINC04710774
ZINC4710774
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