Vitas-M small molecule compound

1-(3,4-dichlorophenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STK585645
SMILES O=C(c1ccc(c(c1)Cl)Cl)CSc1nnc(n1c1ccccc1)c1nccnc1

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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 C20H13Cl2N5OS MW 442.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13Cl2N5OS/c21-15-7-6-13(10-16(15)22)18(28)12-29-20-26-25-19(17-11-23-8-9-24-17)27(20)14-4-2-1-3-5-14/h1-11H,12H2
InChIKey
BLTGQTLLCPYBNE-UHFFFAOYSA-N
Synonyms
899389-47-0
1(34DICHLOROPHENYL)2((4PHENYL5(PYRAZIN2YL)4H124TRIAZOL3YL)SULFANYL)ETHAN1ONE
1(34dichlorophenyl)2((4phenyl5(pyrazin2yl)4H124triazol3yl)sulfanyl)ethanone
1(34dichlorophenyl)2((4phenyl5(pyrazin2yl)4H124triazol3yl)thio)ethanone
1(34DICHLOROPHENYL)2((4PHENYL5PYRAZIN2YL124TRIAZOL3YL)SULFANYL)ETHANONE
1(34DICHLOROPHENYL)2(4PHENYL5PYRAZIN2YL(124TRIAZOL3YLTHIO))ETHAN1ONE
899389470
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=C(C=C3)Cl)Cl)C4=NC=CN=C4
InChI=1SC20H13Cl2N5OSc21157613(1016(15)22)18(28)122920262519(171123892417)27(20)144213514h111H12H2
MFCD06610199
ZINC000002348030
ZINC02348030
ZINC2348030

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Available files

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