Vitas-M small molecule compound

4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid

Catalog ID
STK108633
SMILES O=C(CSc1nnc(s1)SCc1ccc(cc1)C)N/N=C/c1ccc(cc1)C(=O)O

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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 C20H18N4O3S3 MW 458.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S3/c1-13-2-4-15(5-3-13)11-28-19-23-24-20(30-19)29-12-17(25)22-21-10-14-6-8-16(9-7-14)18(26)27/h2-10H,11-12H2,1H3,(H,22,25)(H,26,27)/b21-10+
InChIKey
OKGSLQQJHMPNEH-UFFVCSGVSA-N
Synonyms
488110-08-3
(E)4((2(2((5((4methylbenzyl)thio)134thiadiazol2yl)thio)acetyl)hydrazono)methyl)benzoicacid
4((1E)2(2(5((4METHYLPHENYL)METHYLTHIO)(134THIADIAZOL2YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOICACID
4((2(5(4METHYLBENZYLSULFANYL)(134)THIADIAZOL2YLSULFANYL)ACETYL)HYDRAZONOMETHYL)BENZOICACID
4((E)((2((5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
4((E)(2(((5((4METHYLBENZYL)SULFANYL)134THIADIAZOL2YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
488110083
CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O
InChI=1SC20H18N4O3S3c1132415(5313)112819232420(3019)291217(25)222110146816(9714)18(26)27h210H1112H21H3(H2225)(H2627)b2110+
MFCD03219394
O=C(CSc1nnc(s1)SCc1ccc(cc1)C)NN=Cc1ccc(cc1)C(=O)O
ZINC000002329389
ZINC33361170

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Available files

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