Vitas-M small molecule compound

[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](2,3-dihydro-1,4-benzodioxin-6-yl)methanone

Catalog ID
STK092504
SMILES O=C(c1ccc2c(c1)OCCO2)N1CCN(CC1)c1ccc(cc1Cl)[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 C19H18ClN3O5 MW 403.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O5/c20-15-12-14(23(25)26)2-3-16(15)21-5-7-22(8-6-21)19(24)13-1-4-17-18(11-13)28-10-9-27-17/h1-4,11-12H,5-10H2
InChIKey
VCOWKRGDLJBRFN-UHFFFAOYSA-N
Synonyms
347340-21-0
(4(2CHLORO4NITROPHENYL)PIPERAZIN1YL)(23DIHYDRO14BENZODIOXIN6YL)METHANONE
(4(2chloro4nitrophenyl)piperazin1yl)(23dihydrobenzo(b)(14)dioxin6yl)methanone
347340210
C1CN(CCN1C2=C(C=C(C=C2)(N+)(=O)(O))Cl)C(=O)C3=CC4=C(C=C3)OCCO4
InChI=1SC19H18ClN3O5c20151214(23(25)26)2316(15)215722(8621)19(24)13141718(1113)281092717h141112H510H2
MFCD02213377
O=C(c1ccc2c(c1)OCCO2)N1CCN(CC1)c1ccc(cc1Cl)(N+)(=O)(O)
STK092504
ZINC000004663523
ZINC04663523
ZINC4663523

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Available files

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