Vitas-M small molecule compound

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

Catalog ID
STK045780
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccc(cc2)C)c2ccc(cc2)C)cc(c1OC)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 C28H29N5O4S MW 531.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4S/c1-18-6-10-21(11-7-18)27-31-32-28(33(27)22-12-8-19(2)9-13-22)38-17-25(34)30-29-16-20-14-23(35-3)26(37-5)24(15-20)36-4/h6-16H,17H2,1-5H3,(H,30,34)/b29-16+
InChIKey
XNDIEMHHVHULIR-MUFRIFMGSA-N
Synonyms
488860-92-0
(E)2((45diptolyl4H124triazol3yl)thio)N(345trimethoxybenzylidene)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(345TRIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(345TRIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
488860920
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=CC(=C(C(=C4)OC)OC)OC
COc1cc(C=NNC(=O)CSc2nnc(n2c2ccc(cc2)C)c2ccc(cc2)C)cc(c1OC)OC
InChI=1SC28H29N5O4Sc11861021(11718)27313228(33(27)2212819(2)91322)381725(34)302916201423(353)26(375)24(1520)364h616H17H215H3(H3034)b2916+
MFCD02729621
STK045780
ZINC000001306719
ZINC101434203

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Available files

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