Vitas-M small molecule compound
(3-chloro-6-nitro-1-benzothiophen-2-yl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone
Catalog ID
STK462789
SMILES O=C(c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])N1CCN(CC1)c1ncccn1
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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 C17H14ClN5O3S MW 403.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN5O3S/c18-14-12-3-2-11(23(25)26)10-13(12)27-15(14)16(24)21-6-8-22(9-7-21)17-19-4-1-5-20-17/h1-5,10H,6-9H2InChIKey
PJLSVQRXVIFECT-UHFFFAOYSA-NSynonyms
(3chloro6nitro1benzothiophen2yl)(4(pyrimidin2yl)piperazin1yl)methanone
(3CHLORO6NITRO1BENZOTHIOPHEN2YL)(4PYRIMIDIN2YLPIPERAZIN1YL)METHANONE
3CHLORO6NITROBENZO(B)THIOPHEN2YL4PYRIMIDIN2YLPIPERAZINYLKETONE
C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=C(S3)C=C(C=C4)(N+)(=O)(O))Cl
InChI=1SC17H14ClN5O3Sc1814123211(23(25)26)1013(12)2715(14)16(24)216822(9721)17194152017h1510H69H2
MFCD06005376
O=C(c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O))N1CCN(CC1)c1ncccn1
ZINC000001056679
ZINC01056679
ZINC1056679
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