Vitas-M small molecule compound

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

Catalog ID
STK102702
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)N/N=C\c1cccc(c1)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 C29H31N5OS MW 497.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5OS/c1-20-9-15-25(16-10-20)34-27(23-11-13-24(14-12-23)29(3,4)5)32-33-28(34)36-19-26(35)31-30-18-22-8-6-7-21(2)17-22/h6-18H,19H2,1-5H3,(H,31,35)/b30-18-
InChIKey
HWTJGNKACASSLY-YKQZZPSBSA-N
Synonyms
488706-71-4
(Z)2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)N(3methylbenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)(3METHYLPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((Z)(3METHYLPHENYL)METHYLIDENE)ACETOHYDRAZIDE
488706714
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC(=CC=C3)C)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC29H31N5OSc12091525(161020)3427(23111324(141223)29(34)5)323328(34)361926(35)3130182286721(2)1722h618H19H215H3(H3135)b3018
MFCD03219875
N((1Z)2(3METHYLPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)NN=Cc1cccc(c1)C
ZINC000030735526
ZINC01788587
ZINC1788587

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Available files

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