Vitas-M small molecule compound

1-(4-tert-butylbenzyl)-4-[(3-nitrophenyl)sulfonyl]piperazine

Catalog ID
STK472416
SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)C(C)(C)C

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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 C21H27N3O4S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O4S/c1-21(2,3)18-9-7-17(8-10-18)16-22-11-13-23(14-12-22)29(27,28)20-6-4-5-19(15-20)24(25)26/h4-10,15H,11-14,16H2,1-3H3
InChIKey
MISVUSFOWOGVIK-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)C(C)(C)C
1((4((4(TERTBUTYL)PHENYL)METHYL)PIPERAZINYL)SULFONYL)3NITROBENZENE
1((4tertbutylphenyl)methyl)4(3nitrophenyl)sulfonylpiperazine
1(4tertbutylbenzyl)4((3nitrophenyl)sulfonyl)piperazine
CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)(N+)(=O)(O)
InChI=1SC21H27N3O4Sc121(23)189717(81018)1622111323(141222)29(2728)2064519(1520)24(25)26h41015H111416H213H3
MFCD07626035
ZINC000017091152
ZINC17091152

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Available files

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