Vitas-M small molecule compound

2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]acetohydrazide

Catalog ID
STL338137
SMILES COc1ccc2c(c1/C=N/NC(=O)CSc1nnc(n1C1CCCCC1)c1ccc(cc1)C)cccc2

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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 C29H31N5O2S MW 513.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O2S/c1-20-12-14-22(15-13-20)28-32-33-29(34(28)23-9-4-3-5-10-23)37-19-27(35)31-30-18-25-24-11-7-6-8-21(24)16-17-26(25)36-2/h6-8,11-18,23H,3-5,9-10,19H2,1-2H3,(H,31,35)/b30-18+
InChIKey
NTOGGRNRMGEQHX-UXHLAJHPSA-N
Synonyms
612826-58-1
(E)2((4cyclohexyl5(ptolyl)4H124triazol3yl)thio)N((2methoxynaphthalen1yl)methylene)acetohydrazide
2((4cyclohexyl5(4methylphenyl)124triazol3yl)sulfanyl)N((E)(2methoxynaphthalen1yl)methylideneamino)acetamide
2((4cyclohexyl5(4methylphenyl)4H124triazol3yl)sulfanyl)N((E)(2methoxynaphthalen1yl)methylidene)acetohydrazide
612826581
CC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NN=CC4=C(C=CC5=CC=CC=C54)OC
COc1ccc2c(c1C=NNC(=O)CSc1nnc(n1C1CCCCC1)c1ccc(cc1)C)cccc2
InChI=1SC29H31N5O2Sc120121422(151320)28323329(34(28)2394351023)371927(35)31301825241176821(24)161726(25)362h68111823H3591019H212H3(H3135)b3018+
MFCD03222536
N((1E)2(2METHOXYNAPHTHYL)1AZAVINYL)2(4CYCLOHEXYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000013689575
ZINC101420506

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Available files

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