Vitas-M small molecule compound
ethyl 2-(3-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK190078
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
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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 C28H26FN3O4S2 MW 551.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26FN3O4S2/c1-4-36-27(35)23-20-7-5-6-8-22(20)38-26(23)31-15(2)13-17(16(31)3)14-21-24(33)30-28(37)32(25(21)34)19-11-9-18(29)10-12-19/h9-14H,4-8H2,1-3H3,(H,30,33,37)/b21-14-InChIKey
KDRIZBKXQTTYAA-STZFKDTASA-NSynonyms
(Z)ethyl2(3((1(4fluorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydrobenzo(b)thiophene3carboxylate
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)NC(=S)N(C4=O)C5=CC=C(C=C5)F)C
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
ethyl2(3((Z)(1(4fluorophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3((Z)(1(4fluorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H26FN3O4S2c143627(35)2320756822(20)3826(23)3115(2)1317(16(31)3)142124(33)3028(37)32(25(21)34)1911918(29)101219h914H48H213H3(H303337)b2114
MFCD03078968
ZINC02122167
ZINC2122167
Check stock
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Check stock on Vitas-MAvailable files
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