Vitas-M small molecule compound

(3-chloro-1-benzothiophen-2-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone

Catalog ID
STK085774
SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1sc2c(c1Cl)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 C19H16ClN3O3S MW 401.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O3S/c20-17-15-3-1-2-4-16(15)27-18(17)19(24)22-11-9-21(10-12-22)13-5-7-14(8-6-13)23(25)26/h1-8H,9-12H2
InChIKey
KRGZPYONZRAXLJ-UHFFFAOYSA-N
Synonyms

(3CHLORO1BENZOTHIOPHEN2YL)(4(4NITROPHENYL)PIPERAZIN1YL)METHANONE
(O)(N+)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1sc2c(c1Cl)cccc2
C1CN(CCN1C2=CC=C(C=C2)(N+)(=O)(O))C(=O)C3=C(C4=CC=CC=C4S3)Cl
InChI=1SC19H16ClN3O3Sc201715312416(15)2718(17)19(24)2211921(101222)135714(8613)23(25)26h18H912H2
MFCD02221115
STK085774
ZINC000004663304
ZINC04663304
ZINC4663304

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Available files

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