Vitas-M small molecule compound
6-({2-[(4-butylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2,4,6-trimethylphenyl)-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK886246
SMILES CCCCc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1c(C)cc(cc1C)C)c1ccco1
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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 C33H36N4O3S MW 568.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N4O3S/c1-6-7-9-24-11-13-25(14-12-24)36-28(38)19-41-33-26(18-34)30(27-10-8-15-40-27)29(23(5)35-33)32(39)37-31-21(3)16-20(2)17-22(31)4/h8,10-17,30,35H,6-7,9,19H2,1-5H3,(H,36,38)(H,37,39)InChIKey
PIUHDSSQTKBCQZ-UHFFFAOYSA-NSynonyms
6((2((4butylphenyl)amino)2oxoethyl)sulfanyl)5cyano4(furan2yl)2methylN(246trimethylphenyl)14dihydropyridine3carboxamide
6(2(4butylanilino)2oxoethyl)sulfanyl5cyano4(furan2yl)2methylN(246trimethylphenyl)14dihydropyridine3carboxamide
CCCCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=C(C=C(C=C3C)C)C)C4=CC=CO4)C#N
InChI=1SC33H36N4O3Sc167924111325(141224)3628(38)19413326(1834)30(27108154027)29(23(5)3533)32(39)373121(3)1620(2)1722(31)4h810173035H67919H215H3(H3638)(H3739)
MFCD10086702
ZINC000102808361
ZINC000102808363
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