Vitas-M small molecule compound

1-{2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Catalog ID
STK149361
SMILES [O-][N+](=O)c1cc(ccc1N1CCN(CC1)CCSc1nnc(n1c1ccccc1)c1ccccc1)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 C27H25F3N6O2S MW 554.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25F3N6O2S/c28-27(29,30)21-11-12-23(24(19-21)36(37)38)34-15-13-33(14-16-34)17-18-39-26-32-31-25(20-7-3-1-4-8-20)35(26)22-9-5-2-6-10-22/h1-12,19H,13-18H2
InChIKey
GYQWJVMFMMEPQR-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(ccc1N1CCN(CC1)CCSc1nnc(n1c1ccccc1)c1ccccc1)C(F)(F)F
1(2((45DIPHENYL124TRIAZOL3YL)SULFANYL)ETHYL)4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINE
1(2((45DIPHENYL4H124TRIAZOL3YL)SULFANYL)ETHYL)4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINE
C1CN(CCN1CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=C(C=C5)C(F)(F)F)(N+)(=O)(O)
InChI=1SC27H25F3N6O2Sc2827(2930)21111223(24(1921)36(37)38)34151333(141634)17183926323125(207314820)35(26)2295261022h11219H1318H2
MFCD01797348
ZINC000008426072
ZINC8426072

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Available files

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