Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-{[2-(diphenylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK885763
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)N(c1ccccc1)c1ccccc1
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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 C29H25N3O4S MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O4S/c1-3-16-36-29(34)26-20(2)31-28(23(18-30)27(26)24-15-10-17-35-24)37-19-25(33)32(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h3-15,17,27,31H,1,16,19H2,2H3InChIKey
BQTSYLKNQRLEFY-UHFFFAOYSA-NSynonyms
797799-92-9797799929
allyl5cyano6((2(diphenylamino)2oxoethyl)thio)4(furan2yl)2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C#N)C4=CC=CO4)C(=O)OCC=C
InChI=1SC29H25N3O4Sc13163629(34)2620(2)3128(23(1830)27(26)241510173524)371925(33)32(21116471221)22138591422h315172731H11619H22H3
MFCD03668765
prop2en1yl5cyano6((2(diphenylamino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxylate
PROP2ENYL5CYANO4(FURAN2YL)2METHYL6(2OXO2(NPHENYLANILINO)ETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000002197718
ZINC000020150230
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