Vitas-M small molecule compound

2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide

Catalog ID
STK104071
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cc(OC)c(c(c2)OC)OC)nnc1c1ccccc1

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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 C28H29N5O5S MW 547.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O5S/c1-5-38-22-13-11-21(12-14-22)33-27(20-9-7-6-8-10-20)31-32-28(33)39-18-25(34)30-29-17-19-15-23(35-2)26(37-4)24(16-19)36-3/h6-17H,5,18H2,1-4H3,(H,30,34)/b29-17+
InChIKey
UIGSANHPETUNRJ-STBIYBPSSA-N
Synonyms
351516-81-9
(E)2((4(4ethoxyphenyl)5phenyl4H124triazol3yl)thio)N(345trimethoxybenzylidene)acetohydrazide
2((4(4ethoxyphenyl)5phenyl124triazol3yl)sulfanyl)N((E)(345trimethoxyphenyl)methylideneamino)acetamide
2((4(4ETHOXYPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(345TRIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
351516819
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2cc(OC)c(c(c2)OC)OC)nnc1c1ccccc1
InChI=1SC28H29N5O5Sc153822131121(121422)3327(2097681020)313228(33)391825(34)302917191523(352)26(374)24(1619)363h617H518H214H3(H3034)b2917+
MFCD01586281
N((1E)2(345TRIMETHOXYPHENYL)1AZAVINYL)2(4(4ETHOXYPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000100853471
ZINC101507450

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Available files

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