Vitas-M small molecule compound

2-amino-6-{[2-(biphenyl-4-yl)-2-oxoethyl]sulfanyl}-4-[5-(2-nitrophenyl)furan-2-yl]pyridine-3,5-dicarbonitrile

Catalog ID
STL151281
SMILES N#Cc1c(SCC(=O)c2ccc(cc2)c2ccccc2)nc(c(c1c1ccc(o1)c1ccccc1[N+](=O)[O-])C#N)N

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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 C31H19N5O4S MW 557.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H19N5O4S/c32-16-23-29(28-15-14-27(40-28)22-8-4-5-9-25(22)36(38)39)24(17-33)31(35-30(23)34)41-18-26(37)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-15H,18H2,(H2,34,35)
InChIKey
BRWVPXPULACYGL-UHFFFAOYSA-N
Synonyms

2((2((11biphenyl)4yl)2oxoethyl)thio)6amino4(5(2nitrophenyl)furan2yl)pyridine35dicarbonitrile
2AMINO4(5(2NITROPHENYL)FURAN2YL)6(2OXO2(4PHENYLPHENYL)ETHYL)SULFANYLPYRIDINE35DICARBONITRILE
2AMINO6((2(BIPHENYL4YL)2OXOETHYL)SULFANYL)4(5(2NITROPHENYL)FURAN2YL)PYRIDINE35DICARBONITRILE
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O))C#N
InChI=1SC31H19N5O4Sc32162329(28151427(4028)22845925(22)36(38)39)24(1733)31(3530(23)34)411826(37)21121020(111321)196213719h115H18H2(H23435)
MFCD01557007
N#Cc1c(SCC(=O)c2ccc(cc2)c2ccccc2)nc(c(c1c1ccc(o1)c1ccccc1(N+)(=O)(O))C#N)N
ZINC000053277217
ZINC53277217

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Available files

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