Vitas-M small molecule compound

2,6-dimethoxy-4-{(E)-[2-({[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenyl acetate

Catalog ID
STK570869
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccc(cc2)OC)c2ccccc2)cc(c1OC(=O)C)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 C28H27N5O6S MW 561.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O6S/c1-18(34)39-26-23(37-3)14-19(15-24(26)38-4)16-29-30-25(35)17-40-28-32-31-27(20-8-6-5-7-9-20)33(28)21-10-12-22(36-2)13-11-21/h5-16H,17H2,1-4H3,(H,30,35)/b29-16+
InChIKey
DOCHFYYCAWNRNP-MUFRIFMGSA-N
Synonyms

(26dimethoxy4((E)((2((4(4methoxyphenyl)5phenyl124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenyl)acetate
(E)26dimethoxy4((2(2((4(4methoxyphenyl)5phenyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)phenylacetate
26dimethoxy4((E)(2(((4(4methoxyphenyl)5phenyl4H124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenylacetate
4((1E)2(2(4(4METHOXYPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)26DIMETHOXYPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1OC)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=C4)OC
COc1cc(C=NNC(=O)CSc2nnc(n2c2ccc(cc2)OC)c2ccccc2)cc(c1OC(=O)C)OC
InChI=1SC28H27N5O6Sc118(34)392623(373)1419(1524(26)384)16293025(35)174028323127(208657920)33(28)21101222(362)131121h516H17H214H3(H3035)b2916+
MFCD03222549
ZINC000097990107
ZINC102564570

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Available files

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