Vitas-M small molecule compound

3-(butan-2-ylsulfanyl)-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole

Catalog ID
STK050199
SMILES C=CCn1c2ccccc2c2c1nc(nn2)SC(CC)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 C16H18N4S MW 298.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4S/c1-4-10-20-13-9-7-6-8-12(13)14-15(20)17-16(19-18-14)21-11(3)5-2/h4,6-9,11H,1,5,10H2,2-3H3
InChIKey
IRPXILZPYAHAKL-UHFFFAOYSA-N
Synonyms
522651-23-6
3(BUTAN2YLSULFANYL)5(PROP2EN1YL)5H(124)TRIAZINO(56B)INDOLE
3BUTAN2YLSULFANYL5PROP2ENYL(124)TRIAZINO(56B)INDOLE
522651236
C=CCn1c2ccccc2c2c1nc(nn2)SC(CC)C
CCC(C)SC1=NC2=C(C3=CC=CC=C3N2CC=C)N=N1
InChI=1SC16H18N4Sc14102013976812(13)1415(20)1716(191814)2111(3)52h46911H1510H223H3
MFCD03487891
STK050199
ZINC000000464592
ZINC000000464593

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.