Vitas-M small molecule compound

4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK598198
SMILES CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/C(=C/c1ccccc1)/Cl)C

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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 C20H19ClN4OS MW 398.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4OS/c1-14(2)26-18-10-6-9-16(12-18)19-23-24-20(27)25(19)22-13-17(21)11-15-7-4-3-5-8-15/h3-14H,1-2H3,(H,24,27)/b17-11-,22-13+
InChIKey
ALJFHBYKSLBVFI-HOCVSBDUSA-N
Synonyms
677720-16-0
4(((1E2Z)2chloro3phenylprop2en1ylidene)amino)5(3(propan2yloxy)phenyl)24dihydro3H124triazole3thione
4((3Z1E)3CHLORO4PHENYL1AZABUTA13DIENYL)5(3(METHYLETHOXY)PHENYL)124TRIAZOLE3THIOL
4((E)((Z)2CHLORO3PHENYLPROP2ENYLIDENE)AMINO)3(3PROPAN2YLOXYPHENYL)1H124TRIAZOLE5THIONE
677720160
CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2N=CC(=CC3=CC=CC=C3)Cl
CC(Oc1cccc(c1)c1n(nH)c(=S)n1N=CC(=Cc1ccccc1)Cl)C
InChI=1SC20H19ClN4OSc114(2)2618106916(1218)19232420(27)25(19)221317(21)11157435815h314H12H3(H2427)b17112213+
MFCD07198978
ZINC000005690090
ZINC35396104

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Available files

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