Vitas-M small molecule compound
prop-2-en-1-yl 6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK601921
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)C#N)SCC(=O)Nc1cccc(c1)Cl
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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 C26H21ClF3N3O3S MW 547.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClF3N3O3S/c1-3-11-36-25(35)22-15(2)32-24(37-14-21(34)33-17-8-6-7-16(27)12-17)19(13-31)23(22)18-9-4-5-10-20(18)26(28,29)30/h3-10,12,23,32H,1,11,14H2,2H3,(H,33,34)InChIKey
NUQLZWVXHGGWQI-UHFFFAOYSA-NSynonyms
488122-08-3488122083
allyl6((2((3chlorophenyl)amino)2oxoethyl)thio)5cyano2methyl4(2(trifluoromethyl)phenyl)14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC=CC=C3C(F)(F)F)C(=O)OCC=C
InChI=1SC26H21ClF3N3O3Sc13113625(35)2215(2)3224(371421(34)331786716(27)1217)19(1331)23(22)189451020(18)26(2829)30h310122332H11114H22H3(H3334)
MFCD03289490
prop2en1yl6((2((3chlorophenyl)amino)2oxoethyl)sulfanyl)5cyano2methyl4(2(trifluoromethyl)phenyl)14dihydropyridine3carboxylate
PROP2ENYL6(2(3CHLOROANILINO)2OXOETHYL)SULFANYL5CYANO2METHYL4(2(TRIFLUOROMETHYL)PHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000002330515
ZINC000097951476
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