Vitas-M small molecule compound

2-(2,6-dimethylmorpholin-4-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STL049590
SMILES COc1ccc(cc1)CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CC(C)OC(C2)C)/C1=O

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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 C28H30N4O4S2 MW 550.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O4S2/c1-17-6-5-12-31-24(17)29-25(30-15-18(2)36-19(3)16-30)22(26(31)33)14-23-27(34)32(28(37)38-23)13-11-20-7-9-21(35-4)10-8-20/h5-10,12,14,18-19H,11,13,15-16H2,1-4H3/b23-14-
InChIKey
KHRJEXUVGLTWEH-UCQKPKSFSA-N
Synonyms

(5Z)5((2(26DIMETHYLMORPHOLIN4YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2(4METHOXYPHENYL)ETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(26dimethylmorpholino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(4methoxyphenethyl)2thioxothiazolidin4one
2(26dimethylmorpholin4yl)3((Z)(3(2(4methoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C4C(=O)N(C(=S)S4)CCC5=CC=C(C=C5)OC
COc1ccc(cc1)CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CC(C)OC(C2)C)C1=O
InChI=1SC28H30N4O4S2c11765123124(17)2925(301518(2)3619(3)1630)22(26(31)33)142327(34)32(28(37)3823)1311207921(354)10820h51012141819H11131516H214H3b2314
MFCD03664400
ZINC000097969864
ZINC000097969866

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Available files

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