Vitas-M small molecule compound
2-[(4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenoxy)methyl]benzonitrile
Catalog ID
STK187750
SMILES N#Cc1ccccc1COc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)NC1=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 C25H20N4O3S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O3S/c1-15-11-19(12-22-23(30)27-25(33)28-24(22)31)16(2)29(15)20-7-9-21(10-8-20)32-14-18-6-4-3-5-17(18)13-26/h3-12H,14H2,1-2H3,(H2,27,28,30,31,33)InChIKey
QRTHXJGPUCPPDD-UHFFFAOYSA-NSynonyms
2((4(3((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)PHENOXY)METHYL)BENZONITRILE
2((4(3((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)PHENOXY)METHYL)BENZONITRILE
CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3C#N)C)C=C4C(=O)NC(=S)NC4=O
InChI=1SC25H20N4O3Sc1151119(122223(30)2725(33)2824(22)31)16(2)29(15)207921(10820)321418643517(18)1326h312H14H212H3(H22728303133)
MFCD03269524
ZINC000000660037
ZINC00660037
ZINC660037
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