Vitas-M small molecule compound

N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-6-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide

Catalog ID
STK885799
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])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 C28H22N6O5S2 MW 586.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N6O5S2/c1-15-12-17(34(37)38)9-10-19(15)31-23(35)14-40-27-18(13-29)25(21-7-5-11-39-21)24(16(2)30-27)26(36)33-28-32-20-6-3-4-8-22(20)41-28/h3-12,25,30H,14H2,1-2H3,(H,31,35)(H,32,33,36)
InChIKey
GVPABNMBMDGRRK-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CO5)C#N
InChI=1SC28H22N6O5S2c1151217(34(37)38)91019(15)3123(35)14402718(1329)25(2175113921)24(16(2)3027)26(36)33283220634822(20)4128h3122530H14H212H3(H3135)(H323336)
MFCD10086326
N#CC1=C(SCC(=O)Nc2ccc(cc2C)(N+)(=O)(O))NC(=C(C1c1ccco1)C(=O)Nc1nc2c(s1)cccc2)C
N(13benzothiazol2yl)5cyano4(furan2yl)2methyl6((2((2methyl4nitrophenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxamide
N(13benzothiazol2yl)5cyano4(furan2yl)2methyl6(2(2methyl4nitroanilino)2oxoethyl)sulfanyl14dihydropyridine3carboxamide
ZINC000098048549
ZINC000098048550

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.