Vitas-M small molecule compound
prop-2-en-1-yl 6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886035
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)Nc1ccc(cc1)Br
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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 C25H22BrN3O3S MW 524.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN3O3S/c1-3-13-32-25(31)22-16(2)28-24(20(14-27)23(22)17-7-5-4-6-8-17)33-15-21(30)29-19-11-9-18(26)10-12-19/h3-12,23,28H,1,13,15H2,2H3,(H,29,30)InChIKey
HJVZZKZPXPKGIA-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3)C(=O)OCC=C
InChI=1SC25H22BrN3O3Sc13133225(31)2216(2)2824(20(1427)23(22)177546817)331521(30)291911918(26)101219h3122328H11315H22H3(H2930)
MFCD10086576
prop2en1yl6((2((4bromophenyl)amino)2oxoethyl)sulfanyl)5cyano2methyl4phenyl14dihydropyridine3carboxylate
prop2enyl6(2(4bromoanilino)2oxoethyl)sulfanyl5cyano2methyl4phenyl14dihydropyridine3carboxylate
ZINC000101273283
ZINC000101273285
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