Vitas-M small molecule compound
6-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-5-cyano-N-(2,4-dichlorophenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK826457
SMILES N#CC1=C(SCC(=O)Nc2nc3c(s2)cccc3)NC(=C(C1c1ccco1)C(=O)Nc1ccc(cc1Cl)Cl)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 C27H19Cl2N5O3S2 MW 596.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19Cl2N5O3S2/c1-14-23(25(36)32-18-9-8-15(28)11-17(18)29)24(20-6-4-10-37-20)16(12-30)26(31-14)38-13-22(35)34-27-33-19-5-2-3-7-21(19)39-27/h2-11,24,31H,13H2,1H3,(H,32,36)(H,33,34,35)InChIKey
VWNAQNQIUAZPJJ-UHFFFAOYSA-NSynonyms
6((2(13benzothiazol2ylamino)2oxoethyl)sulfanyl)5cyanoN(24dichlorophenyl)4(furan2yl)2methyl14dihydropyridine3carboxamide
6(2(13benzothiazol2ylamino)2oxoethyl)sulfanyl5cyanoN(24dichlorophenyl)4(furan2yl)2methyl14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NC2=NC3=CC=CC=C3S2)C#N)C4=CC=CO4)C(=O)NC5=C(C=C(C=C5)Cl)Cl
InChI=1SC27H19Cl2N5O3S2c11423(25(36)32189815(28)1117(18)29)24(2064103720)16(1230)26(3114)381322(35)34273319523721(19)3927h2112431H13H21H3(H3236)(H333435)
MFCD10086399
ZINC000098048658
ZINC000098048659
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