Vitas-M small molecule compound
(5E)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL056901
SMILES Cc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)/C1=O)S
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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 C27H22ClN3O2S MW 488.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O2S/c1-17-6-9-21(10-7-17)31-26(33)22(25(32)29-27(31)34)15-18-8-11-24-19(14-18)12-13-30(24)16-20-4-2-3-5-23(20)28/h2-11,14-15H,12-13,16H2,1H3,(H,29,32,34)/b22-15+InChIKey
WKJPCAZMIRZLGY-PXLXIMEGSA-NSynonyms
587007-74-7(5E)5((1((2CHLOROPHENYL)METHYL)23DIHYDROINDOL5YL)METHYLIDENE)1(4METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((1(2chlorobenzyl)23dihydro1Hindol5yl)methylidene)1(4methylphenyl)2sulfanylpyrimidine46(1H5H)dione
587007747
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)N(CC4)CC5=CC=CC=C5Cl)C(=O)NC2=S
Cc1ccc(cc1)N1C(=NC(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O)S
InChI=1SC27H22ClN3O2Sc1176921(10717)3126(33)22(25(32)2927(31)34)15188112419(1418)121330(24)1620423523(20)28h2111415H121316H21H3(H293234)b2215+
MFCD05729430
ZINC000002399087
ZINC2399087
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