Vitas-M small molecule compound

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK569207
SMILES O=C(Nc1ccc(cc1)c1sc2c(n1)ccc(c2)C)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)C

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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 C32H27N5OS2 MW 561.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N5OS2/c1-20-7-14-26(15-8-20)37-30(24-6-4-5-21(2)17-24)35-36-32(37)39-19-29(38)33-25-12-10-23(11-13-25)31-34-27-16-9-22(3)18-28(27)40-31/h4-18H,19H2,1-3H3,(H,33,38)
InChIKey
NPCFFQWPODSCQB-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C)C6=CC(=CC=C6)C
InChI=1SC32H27N5OS2c12071426(15820)3730(2464521(2)1724)353632(37)391929(38)3325121023(111325)31342716922(3)1828(27)4031h418H19H213H3(H3338)
MFCD05727139
N(4(6METHYL13BENZOTHIAZOL2YL)PHENYL)2((5(3METHYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4(6methyl13benzothiazol2yl)phenyl)2((5(3methylphenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)acetamide
N(4(6methylbenzo(d)thiazol2yl)phenyl)2((5(mtolyl)4(ptolyl)4H124triazol3yl)thio)acetamide
N(4(6METHYLBENZOTHIAZOL2YL)PHENYL)2(4(4METHYLPHENYL)5(3METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001765387
ZINC01765387
ZINC1765387

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Available files

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