Vitas-M small molecule compound
ethyl 2-[({[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL354775
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc([nH]2)c2cc(Br)ccc2O)sc2c1CCCC2
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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 C21H21BrN4O4S2 MW 537.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN4O4S2/c1-2-30-20(29)17-12-5-3-4-6-15(12)32-19(17)23-16(28)10-31-21-24-18(25-26-21)13-9-11(22)7-8-14(13)27/h7-9,27H,2-6,10H2,1H3,(H,23,28)(H,24,25,26)InChIKey
SZXQDSXXSASVMA-UHFFFAOYSA-NSynonyms
881226-08-0881226080
CCOC(=O)c1c(NC(=O)CSc2nnc((nH)2)c2cc(Br)ccc2O)sc2c1CCCC2
ethyl2((((5(5bromo2hydroxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD06760522
ZINC000097950082
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