Vitas-M small molecule compound
ethyl 2-{3-[(1E)-2-cyano-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK537267
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C(/C(=O)N1CCOCC1)\C#N
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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 C25H29N3O4S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O4S/c1-4-32-25(30)22-20-7-5-6-8-21(20)33-24(22)28-16(2)13-18(17(28)3)14-19(15-26)23(29)27-9-11-31-12-10-27/h13-14H,4-12H2,1-3H3/b19-14+InChIKey
XDAWHCZGSTWAKE-XMHGGMMESA-NSynonyms
(E)ethyl2(3(2cyano3morpholino3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)4567tetrahydrobenzo(b)thiophene3carboxylate
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C(C#N)C(=O)N4CCOCC4)C
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C(C(=O)N1CCOCC1)C#N
ethyl2(3((1E)2cyano3(morpholin4yl)3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3((E)2cyano3morpholin4yl3oxoprop1enyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H29N3O4Sc143225(30)2220756821(20)3324(22)2816(2)1318(17(28)3)1419(1526)23(29)2791131121027h1314H412H213H3b1914+
MFCD02162012
ZINC000001410543
ZINC01410543
ZINC1410543
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