Vitas-M small molecule compound

2-({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide

Catalog ID
STK104939
SMILES O=C(CSc1nnc(s1)SCc1ccc(cc1)C)N/N=C/c1ccccc1C(F)(F)F

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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 C20H17F3N4OS3 MW 482.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F3N4OS3/c1-13-6-8-14(9-7-13)11-29-18-26-27-19(31-18)30-12-17(28)25-24-10-15-4-2-3-5-16(15)20(21,22)23/h2-10H,11-12H2,1H3,(H,25,28)/b24-10+
InChIKey
PFERLRHWENXCPZ-YSURURNPSA-N
Synonyms
497824-22-3
(E)2((5((4methylbenzyl)thio)134thiadiazol2yl)thio)N(2(trifluoromethyl)benzylidene)acetohydrazide
2((5((4METHYLBENZYL)SULFANYL)134THIADIAZOL2YL)SULFANYL)N((E)(2(TRIFLUOROMETHYL)PHENYL)METHYLIDENE)ACETOHYDRAZIDE
2((5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)SULFANYL)N((E)(2(TRIFLUOROMETHYL)PHENYL)METHYLIDENEAMINO)ACETAMIDE
497824223
CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=CC3=CC=CC=C3C(F)(F)F
InChI=1SC20H17F3N4OS3c1136814(9713)112918262719(3118)301217(28)25241015423516(15)20(2122)23h210H1112H21H3(H2528)b2410+
MFCD03091369
N((1E)2(2(TRIFLUOROMETHYL)PHENYL)1AZAVINYL)2(5((4METHYLPHENYL)METHYLTHIO)(134THIADIAZOL2YLTHIO))ACETAMIDE
O=C(CSc1nnc(s1)SCc1ccc(cc1)C)NN=Cc1ccccc1C(F)(F)F
ZINC000001819888
ZINC33345012

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Available files

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