Vitas-M small molecule compound

methyl 4-{(Z)-[2-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate

Catalog ID
STK103618
SMILES COC(=O)c1ccc(cc1)/C=N\NC(=O)CSc1nnc(n1CC)c1ccc(cc1)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 C22H23N5O3S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O3S/c1-4-27-20(17-9-5-15(2)6-10-17)25-26-22(27)31-14-19(28)24-23-13-16-7-11-18(12-8-16)21(29)30-3/h5-13H,4,14H2,1-3H3,(H,24,28)/b23-13-
InChIKey
HOUPQDRTVRQOOD-QRVIBDJDSA-N
Synonyms

(E)methyl4((2(2((4ethyl5(ptolyl)4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoate
CCN1C(=NN=C1SCC(=O)NN=CC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)C
COC(=O)c1ccc(cc1)C=NNC(=O)CSc1nnc(n1CC)c1ccc(cc1)C
InChI=1SC22H23N5O3Sc142720(179515(2)61017)252622(27)311419(28)2423131671118(12816)21(29)303h513H414H213H3(H2428)b2313
METHYL4((1Z)2(2(4ETHYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOATE
METHYL4((Z)((2((4ETHYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
METHYL4((Z)(2(((4ETHYL5(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
MFCD04126904
ZINC000030742640
ZINC01251150
ZINC1251150

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.