Vitas-M small molecule compound
5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(1H-indol-3-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile
Catalog ID
STK761528
SMILES N#CC1=C(SCC(=O)c2ccc(cc2)Cl)NC(=C(C1c1c[nH]c2c1cccc2)C(=O)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 C25H20ClN3O2S MW 461.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O2S/c1-14-23(15(2)30)24(20-12-28-21-6-4-3-5-18(20)21)19(11-27)25(29-14)32-13-22(31)16-7-9-17(26)10-8-16/h3-10,12,24,28-29H,13H2,1-2H3InChIKey
YGCMOMWGVOHKQW-UHFFFAOYSA-NSynonyms
5acetyl2((2(4chlorophenyl)2oxoethyl)sulfanyl)4(1Hindol3yl)6methyl14dihydropyridine3carbonitrile
5ACETYL2(2(4CHLOROPHENYL)2OXOETHYL)SULFANYL4(1HINDOL3YL)6METHYL14DIHYDROPYRIDINE3CARBONITRILE
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)Cl)C#N)C3=CNC4=CC=CC=C43)C(=O)C
InChI=1SC25H20ClN3O2Sc11423(15(2)30)24(20122821643518(20)21)19(1127)25(2914)321322(31)167917(26)10816h31012242829H13H212H3
MFCD01654570
N#CC1=C(SCC(=O)c2ccc(cc2)Cl)NC(=C(C1c1c(nH)c2c1cccc2)C(=O)C)C
ZINC000009968502
ZINC000009968503
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