Vitas-M small molecule compound
2-(3-{(Z)-[1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile
Catalog ID
STL371703
SMILES N#Cc1c(C)c(sc1n1c(C)cc(c1C)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1)C
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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 C23H20N4O4S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4S/c1-12-8-16(14(3)27(12)22-19(10-24)13(2)15(4)32-22)9-18-20(28)25-23(30)26(21(18)29)11-17-6-5-7-31-17/h5-9H,11H2,1-4H3,(H,25,28,30)/b18-9-InChIKey
AIJJHRGWJBPCMK-NVMNQCDNSA-NSynonyms
2(3((Z)(1(furan2ylmethyl)246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)45dimethylthiophene3carbonitrile
2(3((Z)(1(furan2ylmethyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)45dimethylthiophene3carbonitrile
CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4
InChI=1SC23H20N4O4Sc112816(14(3)27(12)2219(1024)13(2)15(4)3222)91820(28)2523(30)26(21(18)29)11176573117h59H11H214H3(H252830)b189
MFCD02196076
N#Cc1c(C)c(sc1n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)Cc1ccco1)C
ZINC000059534727
ZINC59534727
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