Vitas-M small molecule compound

2-chloro-N-(2-{[2-({5-[(3-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

Catalog ID
STK127074
SMILES O=C(Nc1nnc(s1)SCc1cccc(c1)C)CSc1sc2c(n1)ccc(c2)NC(=O)c1ccccc1Cl

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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 C26H20ClN5O2S4 MW 598.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClN5O2S4/c1-15-5-4-6-16(11-15)13-35-26-32-31-24(38-26)30-22(33)14-36-25-29-20-10-9-17(12-21(20)37-25)28-23(34)18-7-2-3-8-19(18)27/h2-12H,13-14H2,1H3,(H,28,34)(H,30,31,33)
InChIKey
GLERSYALOFZOKS-UHFFFAOYSA-N
Synonyms

2(6((2CHLOROPHENYL)CARBONYLAMINO)BENZOTHIAZOL2YLTHIO)N(5((3METHYLPHENYL)METHYLTHIO)(134THIADIAZOL2YL))ACETAMIDE
2CHLORON(2((2((5((3METHYLBENZYL)SULFANYL)134THIADIAZOL2YL)AMINO)2OXOETHYL)SULFANYL)13BENZOTHIAZOL6YL)BENZAMIDE
2CHLORON(2(2((5((3METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)AMINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)BENZAMIDE
CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5Cl
InChI=1SC26H20ClN5O2S4c11554616(1115)133526323124(3826)3022(33)143625292010917(1221(20)3725)2823(34)18723819(18)27h212H1314H21H3(H2834)(H303133)
MFCD04092414
ZINC000008438341
ZINC08438341
ZINC8438341

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Available files

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