Vitas-M small molecule compound
2-(5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N-(3,4-dichlorophenyl)acetamide
Catalog ID
STK221679
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1C)CC(=O)Nc1ccc(c(c1)Cl)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 C20H17Cl2N5O4S MW 494.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2N5O4S/c1-27-17(8-18(28)23-11-2-4-13(21)14(22)6-11)25-26-20(27)32-9-19(29)24-12-3-5-15-16(7-12)31-10-30-15/h2-7H,8-10H2,1H3,(H,23,28)(H,24,29)InChIKey
NGWPFENYDMMNQU-UHFFFAOYSA-NSynonyms
2(5((2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)N(34DICHLOROPHENYL)ACETAMIDE
2(5(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(34DICHLOROPHENYL)ACETAMIDE
2(5(BENZO(13)DIOXOL5YLCARBAMOYLMETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)N(34DICHLOROPHENYL)ACETAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC(=C(C=C4)Cl)Cl
InChI=1SC20H17Cl2N5O4Sc12717(818(28)23112413(21)14(22)611)252620(27)32919(29)2412351516(712)31103015h27H810H21H3(H2328)(H2429)
MFCD07399363
ZINC000009263610
ZINC09263610
ZINC9263610
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