Vitas-M small molecule compound
2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide
Catalog ID
STK676380
SMILES O=C(Nc1ccc(c(c1)Cl)C)CSc1sc2c(n1)ccc(c2)NC(=O)CSc1nnc(n1Cc1ccccc1)c1ccccc1
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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 C33H27ClN6O2S3 MW 671.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27ClN6O2S3/c1-21-12-13-24(16-26(21)34)35-30(42)20-44-33-37-27-15-14-25(17-28(27)45-33)36-29(41)19-43-32-39-38-31(23-10-6-3-7-11-23)40(32)18-22-8-4-2-5-9-22/h2-17H,18-20H2,1H3,(H,35,42)(H,36,41)InChIKey
DUOJGFIHCAPFHF-UHFFFAOYSA-NSynonyms
2((4BENZYL5PHENYL124TRIAZOL3YL)SULFANYL)N(2(2(3CHLORO4METHYLANILINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)ACETAMIDE
2((4benzyl5phenyl4H124triazol3yl)sulfanyl)N(2((2((3chloro4methylphenyl)amino)2oxoethyl)sulfanyl)13benzothiazol6yl)acetamide
CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=NN=C(N4CC5=CC=CC=C5)C6=CC=CC=C6)Cl
InChI=1SC33H27ClN6O2S3c121121324(1626(21)34)3530(42)2044333727151425(1728(27)4533)3629(41)194332393831(23106371123)40(32)18228425922h217H1820H21H3(H3542)(H3641)
MFCD01580488
N(2((N(3CHLORO4METHYLPHENYL)CARBAMOYL)METHYLTHIO)BENZOTHIAZOL6YL)2(5PHENYL4BENZYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000008425930
ZINC8425930
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