Vitas-M small molecule compound

(5Z)-3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK994368
SMILES C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)CCC(=O)N1CCC(CC1)Cc1ccccc1

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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 C28H30N2O2S2 MW 490.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O2S2/c1-21(18-22-8-4-2-5-9-22)19-25-27(32)30(28(33)34-25)17-14-26(31)29-15-12-24(13-16-29)20-23-10-6-3-7-11-23/h2-11,18-19,24H,12-17,20H2,1H3/b21-18+,25-19-
InChIKey
UPOQDVNCEPGJNP-LDLBDYBKSA-N
Synonyms

(5Z)3(3(4benzylpiperidin1yl)3oxopropyl)5((2E)2methyl3phenylprop2en1ylidene)2thioxo13thiazolidin4one
(5Z)3(3(4benzylpiperidin1yl)3oxopropyl)5((E)2methyl3phenylprop2enylidene)2sulfanylidene13thiazolidin4one
5((2E)2METHYL3PHENYLPROP2ENYLIDENE)3(3OXO3(4BENZYLPIPERIDYL)PROPYL)2THIOXO13THIAZOLIDIN4ONE
CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4
CC(=Cc1ccccc1)C=C1SC(=S)N(C1=O)CCC(=O)N1CCC(CC1)Cc1ccccc1
InChI=1SC28H30N2O2S2c121(18228425922)192527(32)30(28(33)3425)171426(31)29151224(131629)2023106371123h211181924H121720H21H3b2118+2519
MFCD02653560
ZINC000009030156
ZINC09030156
ZINC9030156

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Available files

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