Vitas-M small molecule compound

6-({2-[(3-butoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide

Catalog ID
STK885732
SMILES CCCCOc1cccc(c1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1C)c1cccs1

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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 C31H32N4O3S2 MW 572.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N4O3S2/c1-4-5-15-38-23-12-8-11-22(17-23)34-27(36)19-40-31-24(18-32)29(26-14-9-16-39-26)28(21(3)33-31)30(37)35-25-13-7-6-10-20(25)2/h6-14,16-17,29,33H,4-5,15,19H2,1-3H3,(H,34,36)(H,35,37)
InChIKey
DXBWVAWVSRBUMW-UHFFFAOYSA-N
Synonyms
401814-13-9
401814139
6((2((3butoxyphenyl)amino)2oxoethyl)sulfanyl)5cyano2methylN(2methylphenyl)4(thiophen2yl)14dihydropyridine3carboxamide
6((2((3BUTOXYPHENYL)AMINO)2OXOETHYL)THIO)5CYANO2METHYL4(THIOPHEN2YL)N(OTOLYL)14DIHYDROPYRIDINE3CARBOXAMIDE
6(2(3BUTOXYANILINO)2OXOETHYL)SULFANYL5CYANO2METHYLN(2METHYLPHENYL)4THIOPHEN2YL14DIHYDROPYRIDINE3CARBOXAMIDE
CCCCOC1=CC=CC(=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3C)C4=CC=CS4)C#N
InChI=1SC31H32N4O3S2c1451538231281122(1723)3427(36)19403124(1832)29(26149163926)28(21(3)3331)30(37)352513761020(25)2h61416172933H451519H213H3(H3436)(H3537)
MFCD02242022
ZINC000097985297
ZINC000097985298

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Available files

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