Vitas-M small molecule compound
(5E)-5-{[1-(4-chlorobenzyl)-1H-indol-3-yl]methylidene}-1-(2-methoxyethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL372576
SMILES COCCN1C(=S)NC(=O)/C(=C\c2cn(c3c2cccc3)Cc2ccc(cc2)Cl)/C1=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 C23H20ClN3O3S MW 453.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O3S/c1-30-11-10-27-22(29)19(21(28)25-23(27)31)12-16-14-26(20-5-3-2-4-18(16)20)13-15-6-8-17(24)9-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,25,28,31)/b19-12+InChIKey
JYVAAINHIGYNBI-XDHOZWIPSA-NSynonyms
(5E)5((1((4chlorophenyl)methyl)indol3yl)methylidene)1(2methoxyethyl)2sulfanylidene13diazinane46dione
(5E)5((1(4chlorobenzyl)1Hindol3yl)methylidene)1(2methoxyethyl)2thioxodihydropyrimidine46(1H5H)dione
COCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl)C(=O)NC1=S
COCCN1C(=S)NC(=O)C(=Cc2cn(c3c2cccc3)Cc2ccc(cc2)Cl)C1=O
InChI=1SC23H20ClN3O3Sc13011102722(29)19(21(28)2523(27)31)12161426(20532418(16)20)13156817(24)9715h291214H101113H21H3(H252831)b1912+
MFCD03924841
ZINC000006288650
ZINC6288650
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