Vitas-M small molecule compound
(3-chloro-1-benzothiophen-2-yl){4-[3-(ethylamino)-4-nitrophenyl]piperazin-1-yl}methanone
Catalog ID
STK205882
SMILES CCNc1cc(ccc1[N+](=O)[O-])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 C21H21ClN4O3S MW 444.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O3S/c1-2-23-16-13-14(7-8-17(16)26(28)29)24-9-11-25(12-10-24)21(27)20-19(22)15-5-3-4-6-18(15)30-20/h3-8,13,23H,2,9-12H2,1H3InChIKey
SWKYLCFTTCWJOE-UHFFFAOYSA-NSynonyms
(3CHLORO1BENZOTHIOPHEN2YL)(4(3(ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)METHANONECCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl)(N+)(=O)(O)
CCNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)c1sc2c(c1Cl)cccc2
Registry IDs
MFCD05838553ZINC000009971674
ZINC09971674
ZINC9971674
Check stock
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Check stock on Vitas-MAvailable files
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