Vitas-M small molecule compound
2-chloro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}naphthalene-1,4-dione
Catalog ID
STK158085
SMILES O=C1C(=C(N2CCN(CC2)c2ccc(cc2[N+](=O)[O-])C(F)(F)F)C(=O)c2c1cccc2)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 C21H15ClF3N3O4 MW 465.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClF3N3O4/c22-17-18(20(30)14-4-2-1-3-13(14)19(17)29)27-9-7-26(8-10-27)15-6-5-12(21(23,24)25)11-16(15)28(31)32/h1-6,11H,7-10H2InChIKey
TUZVCJTWRWJCRK-UHFFFAOYSA-NSynonyms
592466-65-42CHLORO3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)NAPHTHALENE14DIONE
592466654
C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O))C3=C(C(=O)C4=CC=CC=C4C3=O)Cl
InChI=1SC21H15ClF3N3O4c221718(20(30)14421313(14)19(17)29)279726(81027)156512(21(2324)25)1116(15)28(31)32h1611H710H2
MFCD03689151
O=C1C(=C(N2CCN(CC2)c2ccc(cc2(N+)(=O)(O))C(F)(F)F)C(=O)c2c1cccc2)Cl
ZINC000008818338
ZINC08818338
ZINC8818338
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