Vitas-M small molecule compound
2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 4-chlorobenzoate
Catalog ID
STK674880
SMILES Clc1ccc(cc1)C(=O)OCCN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
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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 C20H19ClF3N3O4 MW 457.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClF3N3O4/c21-16-4-1-14(2-5-16)19(28)31-12-11-25-7-9-26(10-8-25)17-6-3-15(20(22,23)24)13-18(17)27(29)30/h1-6,13H,7-12H2InChIKey
DHXLMDCVZBORKS-UHFFFAOYSA-NSynonyms
2(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)ETHYL4CHLOROBENZOATE
C1CN(CCN1CCOC(=O)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O)
Clc1ccc(cc1)C(=O)OCCN1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC20H19ClF3N3O4c21164114(2516)19(28)311211257926(10825)176315(20(2223)24)1318(17)27(29)30h1613H712H2
MFCD01420734
ZINC000015188469
ZINC15188469
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