Vitas-M small molecule compound

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

Catalog ID
STL337563
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(cc2)C(=O)O)nnc1c1ccc(cc1)OC

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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 C26H23N5O5S MW 517.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O5S/c1-35-21-11-7-18(8-12-21)24-29-30-26(31(24)20-9-13-22(36-2)14-10-20)37-16-23(32)28-27-15-17-3-5-19(6-4-17)25(33)34/h3-15H,16H2,1-2H3,(H,28,32)(H,33,34)/b27-15+
InChIKey
DNCCCHUVZIVGBN-JFLMPSFJSA-N
Synonyms
406464-71-9
(E)4((2(2((45bis(4methoxyphenyl)4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoicacid
4((E)((2((45BIS(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
4((E)(2(((45bis(4methoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoicacid
406464719
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NN=CC4=CC=C(C=C4)C(=O)O
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(cc2)C(=O)O)nnc1c1ccc(cc1)OC
InChI=1SC26H23N5O5Sc1352111718(81221)24293026(31(24)2091322(362)141020)371623(32)282715173519(6417)25(33)34h315H16H212H3(H2832)(H3334)b2715+
MFCD03677238
ZINC000002220421
ZINC32576989

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Available files

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