Vitas-M small molecule compound
2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl 3,4,5-trimethoxybenzoate
Catalog ID
STK678832
SMILES COc1cc(cc(c1OC)OC)C(=O)OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl
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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 C21H22Cl2N2O9 MW 517.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22Cl2N2O9/c1-31-15-8-12(9-16(32-2)18(15)33-3)21(28)34-10-14(24-20(27)19(22)23)17(26)11-4-6-13(7-5-11)25(29)30/h4-9,14,17,19,26H,10H2,1-3H3,(H,24,27)InChIKey
ZYWOLDMXWZUVKM-UHFFFAOYSA-NSynonyms
(2((22DICHLOROACETYL)AMINO)3HYDROXY3(4NITROPHENYL)PROPYL)345TRIMETHOXYBENZOATE
2((dichloroacetyl)amino)3hydroxy3(4nitrophenyl)propyl345trimethoxybenzoate
COC1=CC(=CC(=C1OC)OC)C(=O)OCC(C(C2=CC=C(C=C2)(N+)(=O)(O))O)NC(=O)C(Cl)Cl
COc1cc(cc(c1OC)OC)C(=O)OCC(C(c1ccc(cc1)(N+)(=O)(O))O)NC(=O)C(Cl)Cl
InChI=1SC21H22Cl2N2O9c13115812(916(322)18(15)333)21(28)341014(2420(27)19(22)23)17(26)114613(7511)25(29)30h4914171926H10H213H3(H2427)
MFCD00327889
ZINC000033354856
ZINC000033354863
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