Vitas-M small molecule compound
(3-chloro-6-nitro-1-benzothiophen-2-yl)[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
Catalog ID
STK464693
SMILES CCOc1ccccc1N1CCN(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 C21H20ClN3O4S MW 445.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O4S/c1-2-29-17-6-4-3-5-16(17)23-9-11-24(12-10-23)21(26)20-19(22)15-8-7-14(25(27)28)13-18(15)30-20/h3-8,13H,2,9-12H2,1H3InChIKey
IBDPJIRXIOMYLB-UHFFFAOYSA-NSynonyms
(3chloro6nitro1benzothiophen2yl)(4(2ethoxyphenyl)piperazin1yl)methanone
3CHLORO6NITROBENZO(B)THIOPHEN2YL4(2ETHOXYPHENYL)PIPERAZINYLKETONE
CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)(N+)(=O)(O))Cl
CCOc1ccccc1N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O)
InChI=1SC21H20ClN3O4Sc122917643516(17)2391124(121023)21(26)2019(22)158714(25(27)28)1318(15)3020h3813H2912H21H3
MFCD06624599
ZINC000003613375
ZINC03613375
ZINC3613375
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