Vitas-M small molecule compound

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

Catalog ID
STK592549
SMILES CCOCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2)/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 C28H31N5O3S2 MW 549.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O3S2/c1-3-36-18-8-13-33-27(35)23(38-28(33)37)19-22-25(29-24-20(2)9-7-12-32(24)26(22)34)31-16-14-30(15-17-31)21-10-5-4-6-11-21/h4-7,9-12,19H,3,8,13-18H2,1-2H3/b23-19-
InChIKey
NCEYMEQPGDMHSZ-NMWGTECJSA-N
Synonyms
636991-17-8
(5Z)3(3ETHOXYPROPYL)5((9METHYL4OXO2(4PHENYLPIPERAZIN1YL)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(3ethoxypropyl)5((9methyl4oxo2(4phenylpiperazin1yl)4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(3ethoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2(4phenylpiperazin1yl)4Hpyrido(12a)pyrimidin4one
3(3ETHOXYPROPYL)5((9METHYL4OXO2(4PHENYLPIPERAZINYL)(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
636991178
CCOCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)C5=CC=CC=C5)SC1=S
CCOCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2)C1=O
InChI=1SC28H31N5O3S2c1336188133327(35)23(3828(33)37)192225(292420(2)971232(24)26(22)34)31161430(151731)21105461121h4791219H381318H212H3b2319
MFCD03663736
ZINC000100870224
ZINC100870224

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Available files

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