Vitas-M small molecule compound
(3,6-dichloro-1-benzothiophen-2-yl)[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone
Catalog ID
STK355334
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)Cl
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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 C20H17Cl2N3O4S MW 466.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2N3O4S/c1-29-13-3-5-15(16(11-13)25(27)28)23-6-8-24(9-7-23)20(26)19-18(22)14-4-2-12(21)10-17(14)30-19/h2-5,10-11H,6-9H2,1H3InChIKey
UZZYBRRIQFXFFJ-UHFFFAOYSA-NSynonyms
(36dichloro1benzothiophen2yl)(4(4methoxy2nitrophenyl)piperazin1yl)methanone
COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)Cl
InChI=1SC20H17Cl2N3O4Sc129133515(16(1113)25(27)28)236824(9723)20(26)1918(22)144212(21)1017(14)3019h251011H69H21H3
MFCD05829268
ZINC000016215613
ZINC16215613
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