Vitas-M small molecule compound

2-({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(1E,2Z)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide

Catalog ID
STK108010
SMILES COc1ccccc1/C=C\C=N\NC(=O)CSc1nnc(s1)SCc1ccccc1Cl

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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 C21H19ClN4O2S3 MW 491.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2S3/c1-28-18-11-5-3-7-15(18)9-6-12-23-24-19(27)14-30-21-26-25-20(31-21)29-13-16-8-2-4-10-17(16)22/h2-12H,13-14H2,1H3,(H,24,27)/b9-6-,23-12+
InChIKey
PAODBATXKCMOAQ-GSDRVJGFSA-N
Synonyms

(E)2((5((2chlorobenzyl)thio)134thiadiazol2yl)thio)N((E)3(2methoxyphenyl)allylidene)acetohydrazide
2((5((2CHLOROBENZYL)SULFANYL)134THIADIAZOL2YL)SULFANYL)N((1E2Z)3(2METHOXYPHENYL)PROP2EN1YLIDENE)ACETOHYDRAZIDE
2((5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)SULFANYL)N((E)((Z)3(2METHOXYPHENYL)PROP2ENYLIDENE)AMINO)ACETAMIDE
COC1=CC=CC=C1C=CC=NNC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3Cl
COc1ccccc1C=CC=NNC(=O)CSc1nnc(s1)SCc1ccccc1Cl
InChI=1SC21H19ClN4O2S3c128181153715(18)9612232419(27)143021262520(3121)2913168241017(16)22h212H1314H21H3(H2427)b962312+
MFCD03219799
N((3Z1E)4(2METHOXYPHENYL)1AZABUTA13DIENYL)2(5((2CHLOROPHENYL)METHYLTHIO)(134THIADIAZOL2YLTHIO))ACETAMIDE
ZINC000012466475
ZINC34688492

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Available files

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