Vitas-M small molecule compound

3-(2-chlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

Catalog ID
STK271510
SMILES C=CCn1c(nnc1c1ccccc1Cl)Sc1ccc(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 C18H12ClF3N4O2S MW 440.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClF3N4O2S/c1-2-9-25-16(12-5-3-4-6-13(12)19)23-24-17(25)29-15-8-7-11(18(20,21)22)10-14(15)26(27)28/h2-8,10H,1,9H2
InChIKey
XLWNPURBOBLHTK-UHFFFAOYSA-N
Synonyms

3(2chlorophenyl)5((2nitro4(trifluoromethyl)phenyl)sulfanyl)4(prop2en1yl)4H124triazole
3(2CHLOROPHENYL)5(2NITRO4(TRIFLUOROMETHYL)PHENYL)SULFANYL4PROP2ENYL124TRIAZOLE
C=CCN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O))C3=CC=CC=C3Cl
C=CCn1c(nnc1c1ccccc1Cl)Sc1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC18H12ClF3N4O2Sc1292516(12534613(12)19)232417(25)29158711(18(2021)22)1014(15)26(27)28h2810H19H2
MFCD03710183
ZINC000003003753
ZINC03003753
ZINC3003753

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Available files

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