Vitas-M small molecule compound

2,7-diamino-4-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-4H-chromene-3-carbonitrile

Catalog ID
STK911987
SMILES CCCCSc1ccc(cc1)c1nn(cc1C1C(=C(N)Oc2c1ccc(c2)N)C#N)c1ccccc1

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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 C29H27N5OS MW 493.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5OS/c1-2-3-15-36-22-12-9-19(10-13-22)28-25(18-34(33-28)21-7-5-4-6-8-21)27-23-14-11-20(31)16-26(23)35-29(32)24(27)17-30/h4-14,16,18,27H,2-3,15,31-32H2,1H3
InChIKey
HNOYDZQYBARWAK-UHFFFAOYSA-N
Synonyms
27diamino4(3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)4Hchromene3carbonitrile
27diamino4(3(4butylsulfanylphenyl)1phenylpyrazol4yl)4Hchromene3carbonitrile
CCCCSC1=CC=C(C=C1)C2=NN(C=C2C3C4=C(C=C(C=C4)N)OC(=C3C#N)N)C5=CC=CC=C5
Registry IDs
MFCD07426911
ZINC000008846173
ZINC000008846174

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Available files

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