Vitas-M small molecule compound

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

Catalog ID
STK021187
SMILES COc1ccc(c(c1OC)OC)/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)C)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 C28H29N5O4S MW 531.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4S/c1-18-6-10-20(11-7-18)27-31-32-28(33(27)22-13-8-19(2)9-14-22)38-17-24(34)30-29-16-21-12-15-23(35-3)26(37-5)25(21)36-4/h6-16H,17H2,1-5H3,(H,30,34)/b29-16+
InChIKey
VVELOZHZCWJFMZ-MUFRIFMGSA-N
Synonyms
497231-32-0
(E)2((45diptolyl4H124triazol3yl)thio)N(234trimethoxybenzylidene)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(234TRIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(234TRIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
497231320
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=C(C(=C(C=C4)OC)OC)OC
COc1ccc(c(c1OC)OC)C=NNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C
InChI=1SC28H29N5O4Sc11861020(11718)27313228(33(27)2213819(2)91422)381724(34)30291621121523(353)26(375)25(21)364h616H17H215H3(H3034)b2916+
MFCD03091554
N((1E)2(234TRIMETHOXYPHENYL)1AZAVINYL)2(45BIS(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
STK021187
ZINC000001293651
ZINC101404086

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Available files

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