Vitas-M small molecule compound

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

Catalog ID
STK107042
SMILES COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)N/N=C\c1ccccc1C(=O)O

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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 C26H23N5O4S MW 501.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O4S/c1-17-7-11-20(12-8-17)31-24(18-9-13-21(35-2)14-10-18)29-30-26(31)36-16-23(32)28-27-15-19-5-3-4-6-22(19)25(33)34/h3-15H,16H2,1-2H3,(H,28,32)(H,33,34)/b27-15-
InChIKey
DZCGTSNZZAKHAD-DICXZTSXSA-N
Synonyms

(E)2((2(2((5(4methoxyphenyl)4(ptolyl)4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoicacid
2((1Z)2(2(5(4METHOXYPHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOICACID
2((Z)((2((5(4METHOXYPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
2((Z)(2(((5(4METHOXYPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=CC=C3C(=O)O)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)NN=Cc1ccccc1C(=O)O
InChI=1SC26H23N5O4Sc11771120(12817)3124(1891321(352)141018)293026(31)361623(32)28271519534622(19)25(33)34h315H16H212H3(H2832)(H3334)b2715
MFCD03220381
ZINC000004460698
ZINC1474456

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Available files

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