Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(naphthalen-2-yl)ethylidene]acetohydrazide

Catalog ID
STK101589
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C(/c2ccc3c(c2)cccc3)\C)nnc1c1ccc(cc1)C(C)(C)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 C33H33N5O2S MW 563.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N5O2S/c1-22(25-11-10-23-8-6-7-9-26(23)20-25)34-35-30(39)21-41-32-37-36-31(24-12-14-27(15-13-24)33(2,3)4)38(32)28-16-18-29(40-5)19-17-28/h6-20H,21H2,1-5H3,(H,35,39)/b34-22+
InChIKey
JDARYYZGLNQVGC-PPOKSSTKSA-N
Synonyms

(E)2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(1(naphthalen2yl)ethylidene)acetohydrazide
2((5(4tertbutylphenyl)4(4methoxyphenyl)124triazol3yl)sulfanyl)N((E)1naphthalen2ylethylideneamino)acetamide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1E)1(NAPHTHALEN2YL)ETHYLIDENE)ACETOHYDRAZIDE
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(C)(C)C)C4=CC5=CC=CC=C5C=C4
COc1ccc(cc1)n1c(SCC(=O)NN=C(c2ccc3c(c2)cccc3)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC33H33N5O2Sc122(25111023867926(23)2025)343530(39)214132373631(24121427(151324)33(23)4)38(32)28161829(405)191728h620H21H215H3(H3539)b3422+
MFCD03220034
N((1E)2(2NAPHTHYL)1AZAPROP1ENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000100852102
ZINC101504750

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Available files

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