Vitas-M small molecule compound

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

Catalog ID
STK110093
SMILES COc1ccc(cc1)/C(=N\NC(=O)CSc1nnc(n1CC)c1ccc(cc1)C(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 C25H31N5O2S MW 465.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O2S/c1-7-30-23(19-8-12-20(13-9-19)25(3,4)5)28-29-24(30)33-16-22(31)27-26-17(2)18-10-14-21(32-6)15-11-18/h8-15H,7,16H2,1-6H3,(H,27,31)/b26-17-
InChIKey
VVPAQSWXDJBBRK-ONUIUJJFSA-N
Synonyms
497170-14-6
(Z)2((5(4(tertbutyl)phenyl)4ethyl4H124triazol3yl)thio)N(1(4methoxyphenyl)ethylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((Z)1(4METHOXYPHENYL)ETHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N((1Z)1(4METHOXYPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
497170146
CCN1C(=NN=C1SCC(=O)NN=C(C)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(C)(C)C
COc1ccc(cc1)C(=NNC(=O)CSc1nnc(n1CC)c1ccc(cc1)C(C)(C)C)C
InChI=1SC25H31N5O2Sc173023(1981220(13919)25(34)5)282924(30)331622(31)272617(2)18101421(326)151118h815H716H216H3(H2731)b2617
MFCD03219115
N((1Z)2(4METHOXYPHENYL)1AZAPROP1ENYL)2(5(4(TERTBUTYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009763182
ZINC34367808

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Available files

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