Vitas-M small molecule compound
N-(2-cyanoethyl)-N-[(5-{(E)-[1-(3-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)methyl]methanesulfonamide
Catalog ID
STL372398
SMILES N#CCCN(S(=O)(=O)C)Cc1ccc(o1)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)OC
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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 C21H20N4O6S2 MW 488.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O6S2/c1-30-15-6-3-5-14(11-15)25-20(27)18(19(26)23-21(25)32)12-16-7-8-17(31-16)13-24(10-4-9-22)33(2,28)29/h3,5-8,11-12H,4,10,13H2,1-2H3,(H,23,26,32)/b18-12+InChIKey
VTTSPDHJTJWVCE-LDADJPATSA-NSynonyms
COC1=CC=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)CN(CCC#N)S(=O)(=O)C)C(=O)NC2=S
InChI=1SC21H20N4O6S2c1301563514(1115)2520(27)18(19(26)2321(25)32)12167817(3116)1324(104922)33(228)29h3581112H41013H212H3(H232632)b1812+
MFCD03214428
N#CCCN(S(=O)(=O)C)Cc1ccc(o1)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)OC
N(2cyanoethyl)N((5((E)(1(3methoxyphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)furan2yl)methyl)methanesulfonamide
N(2cyanoethyl)N((5((E)(1(3methoxyphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)methyl)methanesulfonamide
ZINC000008452546
ZINC08452546
ZINC8452546
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