Vitas-M small molecule compound
1-[(3,4-dichlorophenyl)sulfonyl]-4-(4-nitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)piperazine
Catalog ID
STK150381
SMILES [O-][N+](=O)c1ccc(cc1N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)Cl)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 C27H25Cl2F3N6O6S MW 689.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25Cl2F3N6O6S/c28-21-4-3-20(17-22(21)29)45(43,44)36-13-11-33(12-14-36)19-2-6-24(37(39)40)25(16-19)35-9-7-34(8-10-35)23-5-1-18(27(30,31)32)15-26(23)38(41)42/h1-6,15-17H,7-14H2InChIKey
KPGDFQOJFLAEGS-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F)N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)Cl)Cl
1((34DICHLOROPHENYL)SULFONYL)4(4NITRO3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PHENYL)PIPERAZINE
1(34DICHLOROPHENYL)SULFONYL4(4NITRO3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PHENYL)PIPERAZINE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O))S(=O)(=O)C5=CC(=C(C=C5)Cl)Cl
InChI=1SC27H25Cl2F3N6O6Sc28214320(1722(21)29)45(4344)36131133(121436)192624(37(39)40)25(1619)359734(81035)235118(27(3031)32)1526(23)38(41)42h161517H714H2
MFCD03306495
ZINC000150346051
ZINC150346051
Check stock
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Check stock on Vitas-MAvailable files
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