Vitas-M small molecule compound

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide

Catalog ID
STK802779
SMILES Cc1cc(ccc1NC(=O)c1cc(ccc1N1CCOCC1)[N+](=O)[O-])c1nc2c(s1)cccc2

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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 C25H22N4O4S MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4S/c1-16-14-17(25-27-21-4-2-3-5-23(21)34-25)6-8-20(16)26-24(30)19-15-18(29(31)32)7-9-22(19)28-10-12-33-13-11-28/h2-9,14-15H,10-13H2,1H3,(H,26,30)
InChIKey
HIKJIPVSHJDNLH-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=CC(=C4)(N+)(=O)(O))N5CCOCC5
Cc1cc(ccc1NC(=O)c1cc(ccc1N1CCOCC1)(N+)(=O)(O))c1nc2c(s1)cccc2
InChI=1SC25H22N4O4Sc1161417(252721423523(21)3425)6820(16)2624(30)191518(29(31)32)7922(19)28101233131128h291415H1013H21H3(H2630)
MFCD08575389
N(4(13benzothiazol2yl)2methylphenyl)2(morpholin4yl)5nitrobenzamide
N(4(13benzothiazol2yl)2methylphenyl)2morpholin4yl5nitrobenzamide
ZINC000016282590
ZINC16282590

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Available files

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