Vitas-M small molecule compound
5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-N-(2,4,6-trimethylphenyl)-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK826397
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)CC)NC(=C(C1c1ccco1)C(=O)Nc1c(C)cc(cc1C)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 C31H32N4O3S MW 540.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N4O3S/c1-6-22-9-11-23(12-10-22)34-26(36)17-39-31-24(16-32)28(25-8-7-13-38-25)27(21(5)33-31)30(37)35-29-19(3)14-18(2)15-20(29)4/h7-15,28,33H,6,17H2,1-5H3,(H,34,36)(H,35,37)InChIKey
RPOLUXYLKJBBCO-UHFFFAOYSA-NSynonyms
5cyano6((2((4ethylphenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2methylN(246trimethylphenyl)14dihydropyridine3carboxamide
5cyano6(2(4ethylanilino)2oxoethyl)sulfanyl4(furan2yl)2methylN(246trimethylphenyl)14dihydropyridine3carboxamide
CCC1=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=1SC31H32N4O3Sc162291123(121022)3426(36)17393124(1632)28(2587133825)27(21(5)3331)30(37)352919(3)1418(2)1520(29)4h7152833H617H215H3(H3436)(H3537)
MFCD10086285
ZINC000098048491
ZINC000098048492
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