Vitas-M small molecule compound

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

Catalog ID
STK105794
SMILES COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)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 C28H28ClN5O2S MW 534.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN5O2S/c1-28(2,3)21-9-5-19(6-10-21)17-30-31-25(35)18-37-27-33-32-26(20-7-15-24(36-4)16-8-20)34(27)23-13-11-22(29)12-14-23/h5-17H,18H2,1-4H3,(H,31,35)/b30-17+
InChIKey
IZGVCOJYHQOUII-OCSSWDANSA-N
Synonyms
406466-47-5
(E)N(4(tertbutyl)benzylidene)2((4(4chlorophenyl)5(4methoxyphenyl)4H124triazol3yl)thio)acetohydrazide
406466475
CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)NN=Cc1ccc(cc1)C(C)(C)C
InChI=1SC28H28ClN5O2Sc128(23)219519(61021)17303125(35)183727333226(2071524(364)16820)34(27)23131122(29)121423h517H18H214H3(H3135)b3017+
MFCD03220574
N((E)(4TERTBUTYLPHENYL)METHYLIDENE)2((4(4CHLOROPHENYL)5(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETOHYDRAZIDE
N((E)(4TERTBUTYLPHENYL)METHYLIDENEAMINO)2((4(4CHLOROPHENYL)5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000002359556
ZINC101509164

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Available files

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