Vitas-M small molecule compound
6-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-N-(4-sulfamoylphenyl)-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK885786
SMILES N#CC1=C(SCC(=O)Nc2nc3c(s2)cccc3)NC(=C(C1c1ccco1)C(=O)Nc1ccc(cc1)S(=O)(=O)N)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 C27H22N6O5S3 MW 606.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N6O5S3/c1-15-23(25(35)31-16-8-10-17(11-9-16)41(29,36)37)24(20-6-4-12-38-20)18(13-28)26(30-15)39-14-22(34)33-27-32-19-5-2-3-7-21(19)40-27/h2-12,24,30H,14H2,1H3,(H,31,35)(H2,29,36,37)(H,32,33,34)InChIKey
GHXUJDJHYZDASW-UHFFFAOYSA-NSynonyms
6((2(13benzothiazol2ylamino)2oxoethyl)sulfanyl)5cyano4(furan2yl)2methylN(4sulfamoylphenyl)14dihydropyridine3carboxamide
6(2(13benzothiazol2ylamino)2oxoethyl)sulfanyl5cyano4(furan2yl)2methylN(4sulfamoylphenyl)14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NC2=NC3=CC=CC=C3S2)C#N)C4=CC=CO4)C(=O)NC5=CC=C(C=C5)S(=O)(=O)N
InChI=1SC27H22N6O5S3c11523(25(35)311681017(11916)41(2936)37)24(2064123820)18(1328)26(3015)391422(34)33273219523721(19)4027h2122430H14H21H3(H3135)(H2293637)(H323334)
MFCD10086305
ZINC000098048519
ZINC000098048520
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