Vitas-M small molecule compound
tert-butyl 6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK535600
SMILES N#CC1=C(SCC(=O)c2ccc(cc2)Br)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)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 C26H24BrClN2O3S MW 559.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrClN2O3S/c1-15-22(25(32)33-26(2,3)4)23(17-7-11-19(28)12-8-17)20(13-29)24(30-15)34-14-21(31)16-5-9-18(27)10-6-16/h5-12,23,30H,14H2,1-4H3InChIKey
UMAOTJJAOGRUHJ-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)Br)C#N)C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C
InChI=1SC26H24BrClN2O3Sc11522(25(32)3326(23)4)23(1771119(28)12817)20(1329)24(3015)341421(31)165918(27)10616h5122330H14H214H3
MFCD02238877
tertbutyl6((2(4bromophenyl)2oxoethyl)sulfanyl)4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
tertbutyl6((2(4bromophenyl)2oxoethyl)thio)4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
TERTBUTYL6(2(4BROMOPHENYL)2OXOETHYL)SULFANYL4(4CHLOROPHENYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000098000178
ZINC000098000179
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