Vitas-M small molecule compound

(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-cyclohexyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STK598944
SMILES O=C1N=C(S)N(C(=O)/C/1=C/c1ccc2c(c1)CCCN2Cc1ccccc1)C1CCCCC1

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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 C27H29N3O2S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S/c31-25-23(26(32)30(27(33)28-25)22-11-5-2-6-12-22)17-20-13-14-24-21(16-20)10-7-15-29(24)18-19-8-3-1-4-9-19/h1,3-4,8-9,13-14,16-17,22H,2,5-7,10-12,15,18H2,(H,28,31,33)/b23-17+
InChIKey
XFOGUUWYQGPFRT-HAVVHWLPSA-N
Synonyms
578749-76-5
(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)1cyclohexyl2sulfanylpyrimidine46(1H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)1CYCLOHEXYL2SULFANYLIDENE13DIAZINANE46DIONE
578749765
C1CCC(CC1)N2C(=O)C(=CC3=CC4=C(C=C3)N(CCC4)CC5=CC=CC=C5)C(=O)NC2=S
InChI=1SC27H29N3O2Sc312523(26(32)30(27(33)2825)22115261222)172013142421(1620)1071529(24)18198314919h134891314161722H25710121518H2(H283133)b2317+
MFCD07200815
ZINC000009424488
ZINC9424488

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Available files

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