Vitas-M small molecule compound

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

Catalog ID
STK107583
SMILES CCn1c(SCC(=O)N/N=C/c2c(C)nn(c2C)c2ccccc2)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 C28H33N7OS MW 515.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N7OS/c1-7-34-26(21-13-15-22(16-14-21)28(4,5)6)31-32-27(34)37-18-25(36)30-29-17-24-19(2)33-35(20(24)3)23-11-9-8-10-12-23/h8-17H,7,18H2,1-6H3,(H,30,36)/b29-17+
InChIKey
VGEREZQEQLJHJG-STBIYBPSSA-N
Synonyms

2((5(4tertbutylphenyl)4ethyl124triazol3yl)sulfanyl)N((E)(35dimethyl1phenylpyrazol4yl)methylideneamino)acetamide
2((5(4TERTBUTYLPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N((E)(35DIMETHYL1PHENYL1HPYRAZOL4YL)METHYLIDENE)ACETOHYDRAZIDE
CCN1C(=NN=C1SCC(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)C)C4=CC=C(C=C4)C(C)(C)C
CCn1c(SCC(=O)NN=Cc2c(C)nn(c2C)c2ccccc2)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC28H33N7OSc173426(21131522(161421)28(45)6)313227(34)371825(36)3029172419(2)3335(20(24)3)231198101223h817H718H216H3(H3036)b2917+
MFCD03290613
N((1E)2(35DIMETHYL1PHENYLPYRAZOL4YL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002697668
ZINC4508403

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Available files

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