Vitas-M small molecule compound

(3-chloro-6-nitro-1-benzothiophen-2-yl)(piperazin-1-yl)methanone

Catalog ID
STK349207
SMILES O=C(c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])N1CCNCC1

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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 C13H12ClN3O3S MW 325.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12ClN3O3S/c14-11-9-2-1-8(17(19)20)7-10(9)21-12(11)13(18)16-5-3-15-4-6-16/h1-2,7,15H,3-6H2
InChIKey
YSSCJSZEFBLRIZ-UHFFFAOYSA-N
Synonyms
587852-86-6
(3CHLORANYL6NITRO1BENZOTHIOPHEN2YL)PIPERAZIN1YLMETHANONE
(3CHLORO6NITRO1BENZOTHIOPHEN2YL)(1PIPERAZINYL)METHANONE
(3chloro6nitro1benzothiophen2yl)(piperazin1yl)methanone
(3CHLORO6NITRO1BENZOTHIOPHEN2YL)PIPERAZIN1YLMETHANONE
(3CHLORO6NITROBENZOTHIOPHEN2YL)PIPERAZINOMETHANONE
1((3CHLORO6NITRO1BENZOTHIEN2YL)CARBONYL)PIPERAZINE
1(3CHLORO6NITRO1BENZOTHIOPHENE2CARBONYL)PIPERAZINE
3CHLORO6NITROBENZO(B)THIOPHEN2YLPIPERAZINYLKETONE
587852866
C1CN(CCN1)C(=O)C2=C(C3=C(S2)C=C(C=C3)(N+)(=O)(O))Cl
InChI=1SC13H12ClN3O3Sc14119218(17(19)20)710(9)2112(11)13(18)1653154616h12715H36H2
MFCD03422692
O=C(c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O))N1CCNCC1
ZINC000002558525
ZINC2558525

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Available files

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