Vitas-M small molecule compound

7-(4-fluorobenzyl)-10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-6(7H)-one

Catalog ID
STK582198
SMILES COc1ccc2c(c1)c1nc3SCCCn3c(=O)c1n2Cc1ccc(cc1)F

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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 C21H18FN3O2S MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O2S/c1-27-15-7-8-17-16(11-15)18-19(20(26)24-9-2-10-28-21(24)23-18)25(17)12-13-3-5-14(22)6-4-13/h3-8,11H,2,9-10,12H2,1H3
InChIKey
YNSQJQCWKKBUCB-UHFFFAOYSA-N
Synonyms
904264-97-7
7(4fluorobenzyl)10methoxy34dihydro2H(13)thiazino(3212)pyrimido(54b)indol6(7H)one
904264977
COC1=CC2=C(C=C1)N(C3=C2N=C4N(C3=O)CCCS4)CC5=CC=C(C=C5)F
InChI=1SC21H18FN3O2Sc12715781716(1115)1819(20(26)2492102821(24)2318)25(17)12133514(22)6413h3811H291012H21H3
MFCD07641207
ZINC000005451811
ZINC05451811
ZINC5451811

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Available files

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