Vitas-M small molecule compound
3-bromo-4-ethoxy-N-{[5-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]carbamothioyl}benzamide
Catalog ID
STK344901
SMILES CCOc1ccc(cc1Br)C(=O)NC(=S)Nc1cc(ccc1C)c1sc2n(n1)c(nn2)CC
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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 C22H21BrN6O2S2 MW 545.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN6O2S2/c1-4-18-26-27-22-29(18)28-20(33-22)14-7-6-12(3)16(11-14)24-21(32)25-19(30)13-8-9-17(31-5-2)15(23)10-13/h6-11H,4-5H2,1-3H3,(H2,24,25,30,32)InChIKey
SMEQUKCKYCHPRK-UHFFFAOYSA-NSynonyms
(3BROMO4ETHOXYPHENYL)N(((5(3ETHYL(124TRIAZOLO(34B)134THIADIAZOLIN6YL))2METHYLPHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
1(3BROMO4ETHOXYBENZOYL)3(5(3ETHYL(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)2METHYLPHENYL)THIOUREA
3bromo4ethoxyN((5(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)2methylphenyl)carbamothioyl)benzamide
CCC1=NN=C2N1N=C(S2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC(=C(C=C4)OCC)Br
InChI=1SC22H21BrN6O2S2c141826272229(18)2820(3322)147612(3)16(1114)2421(32)2519(30)138917(3152)15(23)1013h611H45H213H3(H224253032)
MFCD07144895
ZINC000004125360
ZINC4125360
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