Vitas-M small molecule compound
ethyl 4-{[({3-cyano-5-[(4-ethylphenyl)carbamoyl]-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK885892
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccc(cc1)CC)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 C31H30N4O5S MW 570.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O5S/c1-4-20-8-12-23(13-9-20)35-29(37)27-19(3)33-30(24(17-32)28(27)25-7-6-16-40-25)41-18-26(36)34-22-14-10-21(11-15-22)31(38)39-5-2/h6-16,28,33H,4-5,18H2,1-3H3,(H,34,36)(H,35,37)InChIKey
BVTLIEXNTFZQKJ-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)NC4=CC=C(C=C4)C(=O)OCC)C
ethyl4((((3cyano5((4ethylphenyl)carbamoyl)4(furan2yl)6methyl14dihydropyridin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2((3cyano5((4ethylphenyl)carbamoyl)4(furan2yl)6methyl14dihydropyridin2yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC31H30N4O5Sc142081223(13920)3529(37)2719(3)3330(24(1732)28(27)2576164025)411826(36)3422141021(111522)31(38)3952h6162833H4518H213H3(H3436)(H3537)
MFCD10086440
ZINC000098048711
ZINC000098048712
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