Vitas-M small molecule compound
(5E)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-1-(2-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK570645
SMILES O=C1N=C(S)N(C(=O)/C/1=C/c1ccc2c(c1)CCN2Cc1ccccc1Cl)c1ccccc1C
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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/c1-17-6-2-5-9-23(17)31-26(33)21(25(32)29-27(31)34)15-18-10-11-24-19(14-18)12-13-30(24)16-20-7-3-4-8-22(20)28/h2-11,14-15H,12-13,16H2,1H3,(H,29,32,34)/b21-15+InChIKey
DDVQXTQEKDRUIM-RCCKNPSSSA-NSynonyms
587000-73-5(5E)5((1((2CHLOROPHENYL)METHYL)23DIHYDROINDOL5YL)METHYLIDENE)1(2METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((1(2chlorobenzyl)23dihydro1Hindol5yl)methylidene)1(2methylphenyl)2sulfanylpyrimidine46(1H5H)dione
587000735
CC1=CC=CC=C1N2C(=O)C(=CC3=CC4=C(C=C3)N(CC4)CC5=CC=CC=C5Cl)C(=O)NC2=S
InChI=1SC27H22ClN3O2Sc117625923(17)3126(33)21(25(32)2927(31)34)151810112419(1418)121330(24)1620734822(20)28h2111415H121316H21H3(H293234)b2115+
MFCD05735126
O=C1N=C(S)N(C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl)c1ccccc1C
ZINC000002398545
ZINC2398545
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