Vitas-M small molecule compound

(2-{4-[(3,4-dichlorophenyl)sulfonyl]piperazin-1-yl}-5-nitrophenyl)(morpholin-4-yl)methanone

Catalog ID
STK157753
SMILES O=C(c1cc(ccc1N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)Cl)Cl)[N+](=O)[O-])N1CCOCC1

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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 C21H22Cl2N4O6S MW 529.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22Cl2N4O6S/c22-18-3-2-16(14-19(18)23)34(31,32)26-7-5-24(6-8-26)20-4-1-15(27(29)30)13-17(20)21(28)25-9-11-33-12-10-25/h1-4,13-14H,5-12H2
InChIKey
DTLSPXXWUQVAFN-UHFFFAOYSA-N
Synonyms
591736-34-4
(2(4((34DICHLOROPHENYL)SULFONYL)PIPERAZIN1YL)5NITROPHENYL)(MORPHOLIN4YL)METHANONE
(2(4((34dichlorophenyl)sulfonyl)piperazin1yl)5nitrophenyl)(morpholino)methanone
(2(4(34DICHLOROPHENYL)SULFONYLPIPERAZIN1YL)5NITROPHENYL)MORPHOLIN4YLMETHANONE
4(2(4((34DICHLOROPHENYL)SULFONYL)1PIPERAZINYL)5NITROBENZOYL)MORPHOLINE
591736344
C1CN(CCN1C2=C(C=C(C=C2)(N+)(=O)(O))C(=O)N3CCOCC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl
InChI=1SC21H22Cl2N4O6Sc22183216(1419(18)23)34(3132)267524(6826)204115(27(29)30)1317(20)21(28)2591133121025h141314H512H2
MFCD03690972
O=C(c1cc(ccc1N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)Cl)Cl)(N+)(=O)(O))N1CCOCC1
ZINC000008683475
ZINC8683475

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.