Vitas-M small molecule compound
9-methoxy-6-(3-nitrobenzyl)-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
Catalog ID
STK593813
SMILES COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2Cc1cccc(c1)[N+](=O)[O-]
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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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c1-28-14-5-6-16-15(10-14)17-18(19(25)22-7-8-29-20(22)21-17)23(16)11-12-3-2-4-13(9-12)24(26)27/h2-6,9-10H,7-8,11H2,1H3InChIKey
MQWYSPNITVBKAD-UHFFFAOYSA-NSynonyms
879759-07-6879759076
9methoxy6(3nitrobenzyl)23dihydro(13)thiazolo(3212)pyrimido(54b)indol5(6H)one
9methoxy6(3nitrobenzyl)23dihydrothiazolo(3212)pyrimido(54b)indol5(6H)one
COC1=CC2=C(C=C1)N(C3=C2N=C4N(C3=O)CCS4)CC5=CC(=CC=C5)(N+)(=O)(O)
COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC20H16N4O4Sc12814561615(1014)1718(19(25)22782920(22)2117)23(16)111232413(912)24(26)27h26910H7811H21H3
MFCD07640957
ZINC000005451562
ZINC05451562
ZINC5451562
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