Vitas-M small molecule compound
2-(3-{(E)-[1-(3,4-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
Catalog ID
STL367394
SMILES O=C(Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(c(c1)C)C)NCc1cccs1
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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 C28H24N4O3S2 MW 528.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O3S2/c1-17-9-10-20(12-18(17)2)32-27(35)23(26(34)30-28(32)36)13-19-15-31(24-8-4-3-7-22(19)24)16-25(33)29-14-21-6-5-11-37-21/h3-13,15H,14,16H2,1-2H3,(H,29,33)(H,30,34,36)/b23-13+InChIKey
ZPAVGHWBDVQFDE-YDZHTSKRSA-NSynonyms
2(3((E)(1(34DIMETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)INDOL1YL)N(THIOPHEN2YLMETHYL)ACETAMIDE
2(3((E)(1(34dimethylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)N(thiophen2ylmethyl)acetamide
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)NCC5=CC=CS5)C(=O)NC2=S)C
InChI=1SC28H24N4O3S2c11791020(1218(17)2)3227(35)23(26(34)3028(32)36)13191531(24843722(19)24)1625(33)29142165113721h31315H1416H212H3(H2933)(H303436)b2313+
MFCD28951788
O=C(Cn1cc(c2c1cccc2)C=C1C(=O)NC(=S)N(C1=O)c1ccc(c(c1)C)C)NCc1cccs1
ZINC000000622465
ZINC622465
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