Vitas-M small molecule compound
1-[(4-methylphenyl)sulfonyl]-4-(4-nitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)piperazine
Catalog ID
STK150197
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[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 C28H29F3N6O6S MW 634.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29F3N6O6S/c1-20-2-6-23(7-3-20)44(42,43)35-16-14-32(15-17-35)22-5-9-25(36(38)39)26(19-22)34-12-10-33(11-13-34)24-8-4-21(28(29,30)31)18-27(24)37(40)41/h2-9,18-19H,10-17H2,1H3InChIKey
WPFCUTFPGAFTIJ-UHFFFAOYSA-NSynonyms
1((4METHYLPHENYL)SULFONYL)4(4NITRO3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PHENYL)PIPERAZINE
1(4METHYLPHENYL)SULFONYL4(4NITRO3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PHENYL)PIPERAZINE
CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCN(CC4)C5=C(C=C(C=C5)C(F)(F)F)(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
InChI=1SC28H29F3N6O6Sc1202623(7320)44(4243)35161432(151735)225925(36(38)39)26(1922)34121033(111334)248421(28(2930)31)1827(24)37(40)41h291819H1017H21H3
MFCD03017557
ZINC000150345865
ZINC150345865
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.