Vitas-M small molecule compound

3-{4-[3-(3-nitrophenoxy)propyl]piperazin-1-yl}-1,2-benzothiazole

Catalog ID
STK619845
SMILES [O-][N+](=O)c1cccc(c1)OCCCN1CCN(CC1)c1nsc2c1cccc2

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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 C20H22N4O3S MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S/c25-24(26)16-5-3-6-17(15-16)27-14-4-9-22-10-12-23(13-11-22)20-18-7-1-2-8-19(18)28-21-20/h1-3,5-8,15H,4,9-14H2
InChIKey
BGNKPNCIAGNKAT-UHFFFAOYSA-N
Synonyms
951996-69-3
(O)(N+)(=O)c1cccc(c1)OCCCN1CCN(CC1)c1nsc2c1cccc2
3(4(3(3nitrophenoxy)propyl)piperazin1yl)12benzothiazole
3(4(3(3nitrophenoxy)propyl)piperazin1yl)benzo(d)isothiazole
951996693
C1CN(CCN1CCCOC2=CC=CC(=C2)(N+)(=O)(O))C3=NSC4=CC=CC=C43
InChI=1SC20H22N4O3Sc2524(26)1653617(1516)27144922101223(131122)2018712819(18)282120h135815H4914H2
MFCD09856307
ZINC000013725845
ZINC13725845

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Available files

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