Vitas-M small molecule compound
2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
Catalog ID
STK807473
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nnc1c1sc2c(c1Cl)cccc2
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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 C25H17Cl2N3O2S2 MW 526.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17Cl2N3O2S2/c1-32-18-12-10-17(11-13-18)30-24(23-22(27)19-4-2-3-5-21(19)34-23)28-29-25(30)33-14-20(31)15-6-8-16(26)9-7-15/h2-13H,14H2,1H3InChIKey
KMHPTUQJEOAIPC-UHFFFAOYSA-NSynonyms
2((5(3CHLORO1BENZOTHIOPHEN2YL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1(4CHLOROPHENYL)ETHANONE
2((5(3chloro1benzothiophen2yl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)1(4chlorophenyl)ethanone
2(5(3CHLOROBENZO(B)THIOPHEN2YL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))1(4CHLOROPHENYL)ETHAN1ONE
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)C4=C(C5=CC=CC=C5S4)Cl
InChI=1SC25H17Cl2N3O2S2c13218121017(111318)3024(2322(27)19423521(19)3423)282925(30)331420(31)156816(26)9715h213H14H21H3
MFCD05717574
ZINC000002671187
ZINC2671187
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