Vitas-M small molecule compound

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

Catalog ID
STK872072
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccccc1)N/N=C/c1ccc(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 C28H29N5OS MW 483.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5OS/c1-20-10-16-24(17-11-20)33-26(22-8-6-5-7-9-22)31-32-27(33)35-19-25(34)30-29-18-21-12-14-23(15-13-21)28(2,3)4/h5-18H,19H2,1-4H3,(H,30,34)/b29-18+
InChIKey
INEJNZNJYCNKFX-RDRPBHBLSA-N
Synonyms
314071-66-4
(E)N(4(tertbutyl)benzylidene)2((5phenyl4(ptolyl)4H124triazol3yl)thio)acetohydrazide
314071664
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4
InChI=1SC28H29N5OSc120101624(171120)3326(228657922)313227(33)351925(34)30291821121423(151321)28(23)4h518H19H214H3(H3034)b2918+
MFCD01916106
N((1E)2(4(TERTBUTYL)PHENYL)1AZAVINYL)2(4(4METHYLPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)(4tertbutylphenyl)methylidene)2((4(4methylphenyl)5phenyl4H124triazol3yl)sulfanyl)acetohydrazide
N((E)(4TERTBUTYLPHENYL)METHYLIDENEAMINO)2((4(4METHYLPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccccc1)NN=Cc1ccc(cc1)C(C)(C)C
ZINC000001823514
ZINC33345058

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Available files

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