Vitas-M small molecule compound

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

Catalog ID
STK578995
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)c1ccccc1

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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 C24H22N4O3S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3S/c1-29-20-13-19(14-21(30-2)22(20)31-3)23-26-27-24(32)28(23)25-15-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,27,32)/b25-15+
InChIKey
NEGFPUAOZJOOMU-MFKUBSTISA-N
Synonyms
497941-23-8
4(((E)biphenyl4ylmethylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((1E)2(4PHENYLPHENYL)1AZAVINYL)5(345TRIMETHOXYPHENYL)124TRIAZOLE3THIOL
4((E)(4PHENYLPHENYL)METHYLIDENEAMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
497941238
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C4=CC=CC=C4
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=Cc1ccc(cc1)c1ccccc1
InChI=1SC24H22N4O3Sc129201319(1421(302)22(20)313)23262724(32)28(23)25151691118(121016)177546817h415H13H3(H2732)b2515+
MFCD07204964
ZINC000009088535
ZINC33362086

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Available files

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