Vitas-M small molecule compound
ethyl 2-{3-[(Z)-{2-[(4-iodo-3-methoxyphenyl)carbonyl]hydrazinylidene}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK198131
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=N\NC(=O)c1ccc(c(c1)OC)I
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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 C26H28IN3O4S MW 605.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28IN3O4S/c1-5-34-26(32)23-19-8-6-7-9-22(19)35-25(23)30-15(2)12-18(16(30)3)14-28-29-24(31)17-10-11-20(27)21(13-17)33-4/h10-14H,5-9H2,1-4H3,(H,29,31)/b28-14-InChIKey
QGRFPXPDGUBSJW-MUXKCCDJSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=NNC(=O)C4=CC(=C(C=C4)I)OC)C
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=NNC(=O)c1ccc(c(c1)OC)I
ethyl2(3((Z)((4iodo3methoxybenzoyl)hydrazinylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3((Z)(2((4iodo3methoxyphenyl)carbonyl)hydrazinylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC26H28IN3O4Sc153426(32)2319867922(19)3525(23)3015(2)1218(16(30)3)14282924(31)17101120(27)21(1317)334h1014H59H214H3(H2931)b2814
MFCD02379036
ZINC000097960864
ZINC100209971
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