Vitas-M small molecule compound

4-{[(E)-(4-bromophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK584454
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)Br

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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 C18H17BrN4O3S MW 449.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrN4O3S/c1-24-14-8-12(9-15(25-2)16(14)26-3)17-21-22-18(27)23(17)20-10-11-4-6-13(19)7-5-11/h4-10H,1-3H3,(H,22,27)/b20-10+
InChIKey
ZWLQITZKNUESPG-KEBDBYFISA-N
Synonyms
380625-45-6
380625456
4(((E)(4bromophenyl)methylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((1E)2(4BROMOPHENYL)1AZAVINYL)5(345TRIMETHOXYPHENYL)124TRIAZOLE3THIOL
4((E)(4BROMOPHENYL)METHYLIDENEAMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2N=CC3=CC=C(C=C3)Br
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=Cc1ccc(cc1)Br
InChI=1SC18H17BrN4O3Sc12414812(915(252)16(14)263)17212218(27)23(17)2010114613(19)7511h410H13H3(H2227)b2010+
MFCD00834590
ZINC000009348422
ZINC33341773

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Available files

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