Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STL299040
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1c1ccc(cc1)Cl

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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 C24H19ClN4O4S MW 494.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN4O4S/c1-31-19-9-7-18(8-10-19)29-23(15-2-4-16(25)5-3-15)27-28-24(29)34-13-22(30)26-17-6-11-20-21(12-17)33-14-32-20/h2-12H,13-14H2,1H3,(H,26,30)
InChIKey
UKHBIQHYIDYHOG-UHFFFAOYSA-N
Synonyms
849827-61-8
849827618
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Cl
InChI=1SC24H19ClN4O4Sc131199718(81019)2923(152416(25)5315)272824(29)341322(30)26176112021(1217)33143220h212H1314H21H3(H2630)
MFCD05514727
N(13BENZODIOXOL5YL)2((5(4CHLOROPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13benzodioxol5yl)2((5(4chlorophenyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)acetamide
N(2H13BENZODIOXOL5YL)2((5(4CHLOROPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2HBENZO(34D)13DIOXOLEN5YL)2(5(4CHLOROPHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(benzo(d)(13)dioxol5yl)2((5(4chlorophenyl)4(4methoxyphenyl)4H124triazol3yl)thio)acetamide
ZINC000009309570
ZINC09309570
ZINC9309570

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Available files

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