Vitas-M small molecule compound
ethyl 3-({[2-(morpholin-4-yl)-5-nitrophenyl]carbonyl}amino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate
Catalog ID
STK189062
SMILES CCOC(=O)c1ccc(c(c1)NC(=O)c1cc(ccc1N1CCOCC1)[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccccc1
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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 C31H33N5O7 MW 587.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O7/c1-2-43-31(39)23-8-10-28(33-12-14-35(15-13-33)30(38)22-6-4-3-5-7-22)26(20-23)32-29(37)25-21-24(36(40)41)9-11-27(25)34-16-18-42-19-17-34/h3-11,20-21H,2,12-19H2,1H3,(H,32,37)InChIKey
KGPBSOUGLYPXRI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)(N+)(=O)(O))N5CCOCC5
CCOC(=O)c1ccc(c(c1)NC(=O)c1cc(ccc1N1CCOCC1)(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccccc1
ETHYL3(((2(MORPHOLIN4YL)5NITROPHENYL)CARBONYL)AMINO)4(4(PHENYLCARBONYL)PIPERAZIN1YL)BENZOATE
ethyl4(4benzoylpiperazin1yl)3((2morpholin4yl5nitrobenzoyl)amino)benzoate
InChI=1SC31H33N5O7c124331(39)2381028(33121435(151333)30(38)226435722)26(2023)3229(37)252124(36(40)41)91127(25)34161842191734h3112021H21219H21H3(H3237)
MFCD06665149
ZINC000100404890
ZINC100404890
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