Vitas-M small molecule compound
2-(3-{(E)-[1-(4-fluorophenyl)-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
STK177071
SMILES N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)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 C26H21FN4O3S MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21FN4O3S/c1-14-11-16(15(2)30(14)25-21(13-28)19-5-3-4-6-22(19)35-25)12-20-23(32)29-26(34)31(24(20)33)18-9-7-17(27)8-10-18/h7-12H,3-6H2,1-2H3,(H,29,32,34)/b20-12+InChIKey
QWZKXKDFJJXLHY-UDWIEESQSA-NSynonyms
(E)2(3((1(4fluorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydrobenzo(b)thiophene3carbonitrile
2(3((E)(1(4fluorophenyl)246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((E)(1(4fluorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C4C(=O)NC(=O)N(C4=O)C5=CC=C(C=C5)F
InChI=1SC26H21FN4O3Sc1141116(15(2)30(14)2521(1328)19534622(19)3525)122023(32)2926(34)31(24(20)33)189717(27)81018h712H36H212H3(H293234)b2012+
MFCD02045179
N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)F
ZINC000009170381
ZINC9170381
Check stock
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