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Vitas-M small molecule compound

4-nitrobenzyl N-(2,4-dinitrophenyl)glycylglycylphenylalanylphenylalaninate

Catalog ID
STK370227
SMILES O=C(CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])NCC(=O)NC(C(=O)NC(C(=O)OCc1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)Cc1ccccc1

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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 C35H33N7O11 MW 727.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H33N7O11/c43-32(20-36-28-16-15-27(41(49)50)19-31(28)42(51)52)37-21-33(44)38-29(17-23-7-3-1-4-8-23)34(45)39-30(18-24-9-5-2-6-10-24)35(46)53-22-25-11-13-26(14-12-25)40(47)48/h1-16,19,29-30,36H,17-18,20-22H2,(H,37,43)(H,38,44)(H,39,45)
InChIKey
PCGMEMAUJLVAKJ-UHFFFAOYSA-N
Synonyms

(4NITROPHENYL)METHYL2((2((2((2(24DINITROANILINO)ACETYL)AMINO)ACETYL)AMINO)3PHENYLPROPANOYL)AMINO)3PHENYLPROPANOATE
(4NITROPHENYL)METHYL2(2(2(2((24DINITROPHENYL)AMINO)ACETYLAMINO)ACETYLAMINO)3PHENYLPROPANOYLAMINO)3PHENYLPROPANOATE
4nitrobenzylN(24dinitrophenyl)glycylglycylphenylalanylphenylalaninate
C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)(N+)(=O)(O))NC(=O)CNC(=O)CNC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC35H33N7O11c4332(203628161527(41(49)50)1931(28)42(51)52)372133(44)3829(17237314823)34(45)3930(182495261024)35(46)532225111326(141225)40(47)48h11619293036H17182022H2(H3743)(H3844)(H3945)
MFCD00302544
O=C(CNc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))NCC(=O)NC(C(=O)NC(C(=O)OCc1ccc(cc1)(N+)(=O)(O))Cc1ccccc1)Cc1ccccc1
ZINC000150392130
ZINC000150392136

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Available files

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