Vitas-M small molecule compound
N-(1,3-benzothiazol-2-yl)-5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK885805
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1ccco1)C(=O)Nc1nc2c(s1)cccc2)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 C27H20FN5O3S2 MW 545.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20FN5O3S2/c1-15-23(25(35)33-27-32-19-5-2-3-7-21(19)38-27)24(20-6-4-12-36-20)18(13-29)26(30-15)37-14-22(34)31-17-10-8-16(28)9-11-17/h2-12,24,30H,14H2,1H3,(H,31,34)(H,32,33,35)InChIKey
MGNZXAKELJRLBT-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=CO3)C(=O)NC4=NC5=CC=CC=C5S4
InChI=1SC27H20FN5O3S2c11523(25(35)33273219523721(19)3827)24(2064123620)18(1329)26(3015)371422(34)311710816(28)91117h2122430H14H21H3(H3134)(H323335)
MFCD06669813
N(13benzothiazol2yl)5cyano6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxamide
N(13BENZOTHIAZOL2YL)5CYANO6(2(4FLUOROANILINO)2OXOETHYL)SULFANYL4(FURAN2YL)2METHYL14DIHYDROPYRIDINE3CARBOXAMIDE
ZINC000098045730
ZINC000098045731
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