Vitas-M small molecule compound

(3-chloro-6-nitro-1-benzothiophen-2-yl){4-[(4-propylphenyl)carbonyl]piperazin-1-yl}methanone

Catalog ID
STK434042
SMILES CCCc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[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 C23H22ClN3O4S MW 471.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O4S/c1-2-3-15-4-6-16(7-5-15)22(28)25-10-12-26(13-11-25)23(29)21-20(24)18-9-8-17(27(30)31)14-19(18)32-21/h4-9,14H,2-3,10-13H2,1H3
InChIKey
PTOZPBOBYFWYNC-UHFFFAOYSA-N
Synonyms
588687-78-9
(3chloro6nitro1benzothiophen2yl)(4((4propylphenyl)carbonyl)piperazin1yl)methanone
(3CHLORO6NITRO1BENZOTHIOPHEN2YL)(4(4PROPYLBENZOYL)PIPERAZIN1YL)METHANONE
(4(3CHLORO6NITRO1BENZOTHIOPHENE2CARBONYL)PIPERAZIN1YL)(4PROPYLPHENYL)METHANONE
3CHLORO6NITROBENZO(B)THIOPHEN2YL4((4PROPYLPHENYL)CARBONYL)PIPERAZINYLKETONE
588687789
CCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)(N+)(=O)(O))Cl
CCCc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O)
InChI=1SC23H22ClN3O4Sc123154616(7515)22(28)25101226(131125)23(29)2120(24)189817(27(30)31)1419(18)3221h4914H231013H21H3
MFCD03943334
PIPERAZINE1((3CHLORO6NITROBENZO(B)THIOPHEN2YL)CARBONYL)4(4PROPYLBENZOYL)
ZINC000020562482
ZINC20562482

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Available files

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