Vitas-M small molecule compound

(2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide

Catalog ID
STK542241
SMILES O=C(CSc1nnc(s1)SCc1ccc(cc1)C)N/N=C/C(=S)Nc1ccc(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 C21H21N5OS4 MW 487.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5OS4/c1-14-3-7-16(8-4-14)12-29-20-25-26-21(31-20)30-13-18(27)24-22-11-19(28)23-17-9-5-15(2)6-10-17/h3-11H,12-13H2,1-2H3,(H,23,28)(H,24,27)/b22-11+
InChIKey
VBNFHVANRGTHSY-SSDVNMTOSA-N
Synonyms
489415-72-7
(2E)2(2(((5((4methylbenzyl)sulfanyl)134thiadiazol2yl)sulfanyl)acetyl)hydrazinylidene)N(4methylphenyl)ethanethioamide
(E)2(2(2((5((4methylbenzyl)thio)134thiadiazol2yl)thio)acetyl)hydrazono)N(ptolyl)ethanethioamide
489415727
CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=CC(=S)NC3=CC=C(C=C3)C
InChI=1SC21H21N5OS4c1143716(8414)122920252621(3120)301318(27)24221119(28)23179515(2)61017h311H1213H212H3(H2328)(H2427)b2211+
MFCD03296517
N((1E)3((4METHYLPHENYL)AMINO)3THIOXO1AZAPROP1ENYL)2(5((4METHYLPHENYL)METHYLTHIO)(134THIADIAZOL2YLTHIO))ACETAMIDE
N((E)(2(4METHYLANILINO)2SULFANYLIDENEETHYLIDENE)AMINO)2((5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)SULFANYL)ACETAMIDE
O=C(CSc1nnc(s1)SCc1ccc(cc1)C)NN=CC(=S)Nc1ccc(cc1)C
ZINC000001814356
ZINC102432324

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Available files

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