Vitas-M small molecule compound

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide

Catalog ID
STK246767
SMILES N#Cc1c(NC(=O)C(Sc2nnc3c(n2)[nH]c2c3cccc2)C)sc2c1CCCC2

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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 C21H18N6OS2 MW 434.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6OS2/c1-11(19(28)25-20-14(10-22)12-6-3-5-9-16(12)30-20)29-21-24-18-17(26-27-21)13-7-2-4-8-15(13)23-18/h2,4,7-8,11H,3,5-6,9H2,1H3,(H,25,28)(H,23,24,27)
InChIKey
XNQXTMSUKOLASZ-UHFFFAOYSA-N
Synonyms

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=C(C5=CC=CC=C5N4)N=N3
InChI=1SC21H18N6OS2c111(19(28)252014(1022)12635916(12)3020)2921241817(262721)13724815(13)2318h247811H3569H21H3(H2528)(H232427)
MFCD07081924
N#Cc1c(NC(=O)C(Sc2nnc3c(n2)(nH)c2c3cccc2)C)sc2c1CCCC2
N(3cyano4567tetrahydro1benzothiophen2yl)2(5H(124)triazino(56b)indol3ylsulfanyl)propanamide
ZINC000009667809
ZINC000009667810

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Available files

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