Vitas-M small molecule compound

1-(4-tert-butylphenyl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one

Catalog ID
STK780622
SMILES C=CCn1c2ccccc2c2c1nc(SCCCC(=O)c1ccc(cc1)C(C)(C)C)nn2

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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 C26H28N4OS MW 444.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4OS/c1-5-16-30-21-10-7-6-9-20(21)23-24(30)27-25(29-28-23)32-17-8-11-22(31)18-12-14-19(15-13-18)26(2,3)4/h5-7,9-10,12-15H,1,8,11,16-17H2,2-4H3
InChIKey
DVVFRKHOZRRVAG-UHFFFAOYSA-N
Synonyms

1(4tertbutylphenyl)4((5(prop2en1yl)5H(124)triazino(56b)indol3yl)sulfanyl)butan1one
1(4TERTBUTYLPHENYL)4((5PROP2ENYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)BUTAN1ONE
CC(C)(C)C1=CC=C(C=C1)C(=O)CCCSC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2
InChI=1SC26H28N4OSc151630211076920(21)2324(30)2725(292823)321781122(31)18121419(151318)26(23)4h579101215H18111617H224H3
MFCD06013408
ZINC000009408838
ZINC09408838
ZINC9408838

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Available files

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