Vitas-M small molecule compound
ethyl {[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK537516
SMILES CCOC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)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 C22H21N3O3S2 MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S2/c1-3-28-18(26)13-30-22-16(12-23)20(17-10-7-11-29-17)19(14(2)24-22)21(27)25-15-8-5-4-6-9-15/h4-11,20,24H,3,13H2,1-2H3,(H,25,27)InChIKey
VHQGUBSHQSBXCV-UHFFFAOYSA-NSynonyms
201273-81-6201273816
CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CS3)C#N
ethyl((3cyano6methyl5(phenylcarbamoyl)4(thiophen2yl)14dihydropyridin2yl)sulfanyl)acetate
ethyl2((3cyano6methyl5(phenylcarbamoyl)4(thiophen2yl)14dihydropyridin2yl)thio)acetate
ETHYL2((3CYANO6METHYL5(PHENYLCARBAMOYL)4THIOPHEN2YL14DIHYDROPYRIDIN2YL)SULFANYL)ACETATE
InChI=1SC22H21N3O3S2c132818(26)13302216(1223)20(17107112917)19(14(2)2422)21(27)25158546915h4112024H313H212H3(H2527)
MFCD00339128
ZINC000013175723
ZINC000020813962
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