Vitas-M small molecule compound

2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Catalog ID
STL298932
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)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 C25H21ClN4O3S MW 492.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O3S/c1-16-2-4-17(5-3-16)24-28-29-25(30(24)20-9-6-18(26)7-10-20)34-15-23(31)27-19-8-11-21-22(14-19)33-13-12-32-21/h2-11,14H,12-13,15H2,1H3,(H,27,31)
InChIKey
SZFJNNHQKWNYBU-UHFFFAOYSA-N
Synonyms
849016-54-2
2((4(4CHLOROPHENYL)5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N(23DIHYDRO14BENZODIOXIN6YL)ACETAMIDE
2((4(4chlorophenyl)5(4methylphenyl)4H124triazol3yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
2((4(4chlorophenyl)5(ptolyl)4H124triazol3yl)thio)N(23dihydrobenzo(b)(14)dioxin6yl)acetamide
849016542
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC5=C(C=C4)OCCO5
InChI=1SC25H21ClN4O3Sc1162417(5316)24282925(30(24)209618(26)71020)341523(31)27198112122(1419)3313123221h21114H121315H21H3(H2731)
MFCD05680703
N(2H3HBENZO(34E)14DIOXIN6YL)2(4(4CHLOROPHENYL)5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002451734
ZINC02451734
ZINC2451734

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Available files

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