Vitas-M small molecule compound
N-[5-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Catalog ID
STK209234
SMILES CCc1nnc2n1nc(s2)c1ccc(c(c1)NC(=O)c1ccc2c(c1)OCCO2)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 C21H19N5O3S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3S/c1-3-18-23-24-21-26(18)25-20(30-21)14-5-4-12(2)15(10-14)22-19(27)13-6-7-16-17(11-13)29-9-8-28-16/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,27)InChIKey
HACCXFASUHOFHL-UHFFFAOYSA-NSynonyms
CCC1=NN=C2N1N=C(S2)C3=CC(=C(C=C3)C)NC(=O)C4=CC5=C(C=C4)OCCO5
InChI=1SC21H19N5O3Sc131823242126(18)2520(3021)145412(2)15(1014)2219(27)13671617(1113)29982816h471011H389H212H3(H2227)
MFCD05829721
N(5(3ETHYL(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)2METHYLPHENYL)23DIHYDRO14BENZODIOXINE6CARBOXAMIDE
ZINC000009594472
ZINC09594472
ZINC9594472
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