Vitas-M small molecule compound

ethyl 4-({[bis(propan-2-yloxy)phosphoryl](3-nitrophenyl)methyl}amino)benzoate

Catalog ID
STK536377
SMILES CCOC(=O)c1ccc(cc1)NC(P(=O)(OC(C)C)OC(C)C)c1cccc(c1)[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 C22H29N2O7P MW 464.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N2O7P/c1-6-29-22(25)17-10-12-19(13-11-17)23-21(18-8-7-9-20(14-18)24(26)27)32(28,30-15(2)3)31-16(4)5/h7-16,21,23H,6H2,1-5H3
InChIKey
QSMYCPBDYATFCJ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(C2=CC(=CC=C2)(N+)(=O)(O))P(=O)(OC(C)C)OC(C)C
CCOC(=O)c1ccc(cc1)NC(P(=O)(OC(C)C)OC(C)C)c1cccc(c1)(N+)(=O)(O)
ethyl4(((bis(propan2yloxy)phosphoryl)(3nitrophenyl)methyl)amino)benzoate
ethyl4(((diisopropoxyphosphoryl)(3nitrophenyl)methyl)amino)benzoate
ETHYL4((DI(PROPAN2YLOXY)PHOSPHORYL(3NITROPHENYL)METHYL)AMINO)BENZOATE
InChI=1SC22H29N2O7Pc162922(25)17101219(131117)2321(1887920(1418)24(26)27)32(283015(2)3)3116(4)5h7162123H6H215H3
MFCD01573032
ZINC000001818282
ZINC000001818283

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Available files

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