Vitas-M small molecule compound

2-[(2E)-2-{[1-(3-phenoxypropyl)-1H-pyrrol-2-yl]methylidene}hydrazinyl]-1,3-benzothiazole

Catalog ID
STK081368
SMILES c1ccc(cc1)OCCCn1cccc1/C=N/Nc1nc2c(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 C21H20N4OS MW 376.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4OS/c1-2-9-18(10-3-1)26-15-7-14-25-13-6-8-17(25)16-22-24-21-23-19-11-4-5-12-20(19)27-21/h1-6,8-13,16H,7,14-15H2,(H,23,24)/b22-16+
InChIKey
GZQJWTRXSIOWAC-CJLVFECKSA-N
Synonyms
673490-87-4
(2Z)2((2E)((1(3PHENOXYPROPYL)1HPYRROL2YL)METHYLIDENE)HYDRAZINYLIDENE)23DIHYDRO13BENZOTHIAZOLE
(E)2(2((1(3phenoxypropyl)1Hpyrrol2yl)methylene)hydrazinyl)benzo(d)thiazole
2((2E)2((1(3PHENOXYPROPYL)1HPYRROL2YL)METHYLIDENE)HYDRAZINYL)13BENZOTHIAZOLE
C1=CC=C(C=C1)OCCCN2C=CC=C2C=NNC3=NC4=CC=CC=C4S3
c1ccc(cc1)OCCCn1cccc1C=NNc1nc2c(s1)cccc2
InChI=1SC21H20N4OSc12918(1031)261571425136817(25)16222421231911451220(19)2721h1681316H71415H2(H2324)b2216+
MFCD04007014
N((E)(1(3PHENOXYPROPYL)PYRROL2YL)METHYLIDENEAMINO)13BENZOTHIAZOL2AMINE
NBENZOTHIAZOL2YLN(1(1(3PHENOXYPROPYL)1HPYRROL2YL)METH(E)YLIDENE)HYDRAZINE
STK081368
ZINC000004671874
ZINC33345319

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Available files

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