Vitas-M small molecule compound
3,4-dichloro-N-[2-(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK343886
SMILES O=C(Nc1ccccc1)CCSc1nnc(n1C)CCNC(=O)c1ccc(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 C21H21Cl2N5O2S MW 478.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N5O2S/c1-28-18(9-11-24-20(30)14-7-8-16(22)17(23)13-14)26-27-21(28)31-12-10-19(29)25-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,24,30)(H,25,29)InChIKey
ZYELMBRVUBLTLI-UHFFFAOYSA-NSynonyms
34DICHLORON(2(4METHYL5((3OXO3(PHENYLAMINO)PROPYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC21H21Cl2N5O2Sc12818(9112420(30)147816(22)17(23)1314)262721(28)31121019(29)25155324615h2813H912H21H3(H2430)(H2529)
MFCD06632120
N(2(5(3ANILINO3OXOPROPYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)34DICHLOROBENZAMIDE
ZINC000002887407
ZINC02887407
ZINC2887407
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