Vitas-M small molecule compound
ethyl 4-(3-{(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK609015
SMILES CCOc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)C(=O)OCC)C)/C1=O)S
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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 C28H27N3O5S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O5S/c1-5-35-23-13-11-22(12-14-23)31-26(33)24(25(32)29-28(31)37)16-20-15-17(3)30(18(20)4)21-9-7-19(8-10-21)27(34)36-6-2/h7-16H,5-6H2,1-4H3,(H,29,32,37)/b24-16+InChIKey
FMVJSKWPUMDJCZ-LFVJCYFKSA-NSynonyms
340306-39-0340306390
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)OCC)C)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C(=O)OCC)C)C1=O)S
ETHYL4(3((1(4ETHOXYPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
ethyl4(3((E)(1(4ethoxyphenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
ETHYL4(3((E)(1(4ETHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
InChI=1SC28H27N3O5Sc153523131122(121423)3126(33)24(25(32)2928(31)37)16201517(3)30(18(20)4)219719(81021)27(34)3662h716H56H214H3(H293237)b2416+
MFCD08731719
ZINC000008914175
ZINC8914175
Check stock
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Check stock on Vitas-MAvailable files
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