Vitas-M small molecule compound

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

Catalog ID
STK106190
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccccc2Cl)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 C28H28ClN5O2S MW 534.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN5O2S/c1-28(2,3)21-11-9-19(10-12-21)26-32-33-27(34(26)22-13-15-23(36-4)16-14-22)37-18-25(35)31-30-17-20-7-5-6-8-24(20)29/h5-17H,18H2,1-4H3,(H,31,35)/b30-17+
InChIKey
ISBSJFFRCJQMCY-OCSSWDANSA-N
Synonyms
488086-96-0
(E)2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(2chlorobenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(2CHLOROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(2CHLOROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
488086960
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NN=CC4=CC=CC=C4Cl
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccccc2Cl)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC28H28ClN5O2Sc128(23)2111919(101221)26323327(34(26)22131523(364)161422)371825(35)31301720756824(20)29h517H18H214H3(H3135)b3017+
MFCD03220071
N((1E)2(2CHLOROPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001755916
ZINC101509464

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Available files

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