Vitas-M small molecule compound

3-[(4-tert-butylbenzyl)sulfanyl]-4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole

Catalog ID
STK582490
SMILES CCOc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1ccc(cc1)OC

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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 C28H31N3O2S MW 473.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S/c1-6-33-25-17-13-23(14-18-25)31-26(21-9-15-24(32-5)16-10-21)29-30-27(31)34-19-20-7-11-22(12-8-20)28(2,3)4/h7-18H,6,19H2,1-5H3
InChIKey
KLVIITCBYDRHAO-UHFFFAOYSA-N
Synonyms
896070-41-0
1(5((4(TERTBUTYL)PHENYL)METHYLTHIO)4(4ETHOXYPHENYL)(124TRIAZOL3YL))4METHOXYBENZENE
3(((4TERTBUTYLPHENYL)METHYL)SULFANYL)4(4ETHOXYPHENYL)5(4METHOXYPHENYL)4H124TRIAZOLE
3((4(tertbutyl)benzyl)thio)4(4ethoxyphenyl)5(4methoxyphenyl)4H124triazole
3((4tertbutylbenzyl)sulfanyl)4(4ethoxyphenyl)5(4methoxyphenyl)4H124triazole
3((4TERTBUTYLPHENYL)METHYLSULFANYL)4(4ETHOXYPHENYL)5(4METHOXYPHENYL)124TRIAZOLE
896070410
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)OC
InChI=1SC28H31N3O2Sc163325171323(141825)3126(2191524(325)161021)293027(31)34192071122(12820)28(23)4h718H619H215H3
MFCD05551783
ZINC000002444545
ZINC02444545
ZINC2444545

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Available files

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