Vitas-M small molecule compound
2-(3-{(Z)-[1-(3-ethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK170405
SMILES CCOc1cccc(c1)N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)/C1=O
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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 C28H26N4O4S MW 514.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S/c1-4-36-20-9-7-8-19(14-20)32-26(34)22(25(33)30-28(32)35)13-18-12-16(2)31(17(18)3)27-23(15-29)21-10-5-6-11-24(21)37-27/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,30,33,35)/b22-13-InChIKey
RQVKLOFNNKOMDR-XKZIYDEJSA-NSynonyms
(Z)2(3((1(3ethoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydrobenzo(b)thiophene3carbonitrile
2(3((Z)(1(3ethoxyphenyl)246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((Z)(1(3ethoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=C(C5=C(S4)CCCC5)C#N)C)C(=O)NC2=O
CCOc1cccc(c1)N1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)C1=O
InChI=1SC28H26N4O4Sc14362097819(1420)3226(34)22(25(33)3028(32)35)13181216(2)31(17(18)3)2723(1529)2110561124(21)3727h791214H461011H213H3(H303335)b2213
MFCD02628947
ZINC09311410
ZINC9311410
Check stock
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Check stock on Vitas-MAvailable files
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