Vitas-M small molecule compound
5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK887333
SMILES CCc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)c1ccccc1F
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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 C31H29FN4O3S MW 556.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29FN4O3S/c1-4-20-13-15-21(16-14-20)35-27(37)18-40-31-23(17-33)29(22-9-5-6-10-24(22)32)28(19(2)34-31)30(38)36-25-11-7-8-12-26(25)39-3/h5-16,29,34H,4,18H2,1-3H3,(H,35,37)(H,36,38)InChIKey
DHCCSUOODNRSCT-UHFFFAOYSA-NSynonyms
5cyano6((2((4ethylphenyl)amino)2oxoethyl)sulfanyl)4(2fluorophenyl)N(2methoxyphenyl)2methyl14dihydropyridine3carboxamide
5cyano6(2(4ethylanilino)2oxoethyl)sulfanyl4(2fluorophenyl)N(2methoxyphenyl)2methyl14dihydropyridine3carboxamide
CCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4F)C#N
InChI=1SC31H29FN4O3Sc1420131521(161420)3527(37)18403123(1733)29(229561024(22)32)28(19(2)3431)30(38)362511781226(25)393h5162934H418H213H3(H3537)(H3638)
MFCD10088187
ZINC000102719421
ZINC000102719423
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