Vitas-M small molecule compound

1,3-dimethyl-8-{4-[(4-nitrobenzyl)oxy]phenyl}-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL056946
SMILES [O-][N+](=O)c1ccc(cc1)COc1ccc(cc1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

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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 C20H17N5O5 MW 407.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O5/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)13-5-9-15(10-6-13)30-11-12-3-7-14(8-4-12)25(28)29/h3-10H,11H2,1-2H3,(H,21,22)
InChIKey
HWRPLSQCZHIVLI-UHFFFAOYSA-N
Synonyms
578700-56-8
(O)(N+)(=O)c1ccc(cc1)COc1ccc(cc1)c1(nH)c2c(n1)n(C)c(=O)n(c2=O)C
13dimethyl8(4((4nitrobenzyl)oxy)phenyl)1Hpurine26(3H7H)dione
13dimethyl8(4((4nitrobenzyl)oxy)phenyl)37dihydro1Hpurine26dione
13DIMETHYL8(4((4NITROPHENYL)METHOXY)PHENYL)7HPURINE26DIONE
578700568
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H17N5O5c1231816(19(26)24(2)20(23)27)2117(2218)135915(10613)3011123714(8412)25(28)29h310H11H212H3(H2122)
MFCD04029297
ZINC000005027038
ZINC05027038
ZINC5027038

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Available files

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