Vitas-M small molecule compound

2-methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine

Catalog ID
STL041606
SMILES Cc1nc(SCc2ccc(cc2)[N+](=O)[O-])c2c(n1)c1ccccc1o2

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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 C18H13N3O3S MW 351.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O3S/c1-11-19-16-14-4-2-3-5-15(14)24-17(16)18(20-11)25-10-12-6-8-13(9-7-12)21(22)23/h2-9H,10H2,1H3
InChIKey
INJYMWIPEKXCKB-UHFFFAOYSA-N
Synonyms
714224-64-3
2methyl4((4nitrobenzyl)sulfanyl)(1)benzofuro(32d)pyrimidine
2methyl4((4nitrobenzyl)thio)benzofuro(32d)pyrimidine
2METHYL4((4NITROPHENYL)METHYLSULFANYL)(1)BENZOFURO(32D)PYRIMIDINE
714224643
CC1=NC2=C(C(=N1)SCC3=CC=C(C=C3)(N+)(=O)(O))OC4=CC=CC=C42
Cc1nc(SCc2ccc(cc2)(N+)(=O)(O))c2c(n1)c1ccccc1o2
InChI=1SC18H13N3O3Sc111191614423515(14)2417(16)18(2011)2510126813(9712)21(22)23h29H10H21H3
MFCD04165247
ZINC000005176964
ZINC05176964
ZINC5176964

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Available files

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