Vitas-M small molecule compound
(5E)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK568741
SMILES O=C1N=C(S)N(C(=O)/C/1=C/c1ccc2c(c1)CCN2Cc1ccccc1Cl)CCC1=CCCCC1
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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 C28H28ClN3O2S MW 506.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN3O2S/c29-24-9-5-4-8-22(24)18-31-14-13-21-16-20(10-11-25(21)31)17-23-26(33)30-28(35)32(27(23)34)15-12-19-6-2-1-3-7-19/h4-6,8-11,16-17H,1-3,7,12-15,18H2,(H,30,33,35)/b23-17+InChIKey
WZPBBRNJWLJDMV-HAVVHWLPSA-NSynonyms
713129-10-3(5E)5((1((2CHLOROPHENYL)METHYL)23DIHYDROINDOL5YL)METHYLIDENE)1(2(CYCLOHEXEN1YL)ETHYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((1(2chlorobenzyl)23dihydro1Hindol5yl)methylidene)1(2(cyclohex1en1yl)ethyl)2sulfanylpyrimidine46(1H5H)dione
713129103
C1CCC(=CC1)CCN2C(=O)C(=CC3=CC4=C(C=C3)N(CC4)CC5=CC=CC=C5Cl)C(=O)NC2=S
InChI=1SC28H28ClN3O2Sc2924954822(24)18311413211620(101125(21)31)172326(33)3028(35)32(27(23)34)1512196213719h468111617H137121518H2(H303335)b2317+
MFCD05727293
O=C1N=C(S)N(C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl)CCC1=CCCCC1
ZINC000009459527
ZINC9459527
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