Vitas-M small molecule compound

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

Catalog ID
STK106331
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C(/c2cccs2)\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 C27H29N5O2S2 MW 519.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O2S2/c1-18(23-7-6-16-35-23)28-29-24(33)17-36-26-31-30-25(19-8-10-20(11-9-19)27(2,3)4)32(26)21-12-14-22(34-5)15-13-21/h6-16H,17H2,1-5H3,(H,29,33)/b28-18+
InChIKey
ICIQXCQBLNCLMV-MTDXEUNCSA-N
Synonyms

2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((E)1THIOPHEN2YLETHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1E)1(THIOPHEN2YL)ETHYLIDENE)ACETOHYDRAZIDE
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CS4
COc1ccc(cc1)n1c(SCC(=O)NN=C(c2cccs2)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC27H29N5O2S2c118(2376163523)282924(33)173626313025(1981020(11919)27(23)4)32(26)21121422(345)151321h616H17H215H3(H2933)b2818+
MFCD03220039
N((1E)2(2THIENYL)1AZAPROP1ENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009763738
ZINC34689861

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.