Vitas-M small molecule compound

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

Catalog ID
STK109780
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)N/N=C\c1ccccc1Cl

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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 C28H28ClN5OS MW 518.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN5OS/c1-19-9-15-23(16-10-19)34-26(20-11-13-22(14-12-20)28(2,3)4)32-33-27(34)36-18-25(35)31-30-17-21-7-5-6-8-24(21)29/h5-17H,18H2,1-4H3,(H,31,35)/b30-17-
InChIKey
UYJOEQJMDYTJFF-LQNQUEJISA-N
Synonyms

(E)2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)N(2chlorobenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)(2CHLOROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((Z)(2CHLOROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=CC=C3Cl)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC28H28ClN5OSc11991523(161019)3426(20111322(141220)28(23)4)323327(34)361825(35)31301721756824(21)29h517H18H214H3(H3135)b3017
MFCD03219948
N((1Z)2(2CHLOROPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)NN=Cc1ccccc1Cl
ZINC000030750392
ZINC01811183
ZINC1811183

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Available files

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