Vitas-M small molecule compound

N-(3-methylphenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

Catalog ID
STK120815
SMILES CCCn1c2ccccc2c2c1nc(SCC(=O)Nc1cccc(c1)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 C21H21N5OS MW 391.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5OS/c1-3-11-26-17-10-5-4-9-16(17)19-20(26)23-21(25-24-19)28-13-18(27)22-15-8-6-7-14(2)12-15/h4-10,12H,3,11,13H2,1-2H3,(H,22,27)
InChIKey
QYGDSEZNWYNGSD-UHFFFAOYSA-N
Synonyms
440098-47-5
440098475
CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=CC(=C4)C
InChI=1SC21H21N5OSc131126171054916(17)1920(26)2321(252419)281318(27)221586714(2)1215h41012H31113H212H3(H2227)
MFCD01797900
N(3METHYLPHENYL)2((5PROPYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETAMIDE
N(3METHYLPHENYL)2((5PROPYL5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETAMIDE
ZINC000004676191
ZINC04676191
ZINC4676191

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Available files

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