Vitas-M small molecule compound

ethyl 4-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate

Catalog ID
STL363475
SMILES CCOC(=O)N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(CC)C

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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 C24H29N5O4S2 MW 515.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O4S2/c1-5-16(4)29-22(31)18(35-24(29)34)14-17-20(25-19-15(3)8-7-9-28(19)21(17)30)26-10-12-27(13-11-26)23(32)33-6-2/h7-9,14,16H,5-6,10-13H2,1-4H3/b18-14-
InChIKey
RFSVRMVGHCQFRK-JXAWBTAJSA-N
Synonyms
607694-63-3
(Z)ethyl4(3((3(secbutyl)4oxo2thioxothiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
607694633
CCC(C)N1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)C(=O)OCC)SC1=S
CCOC(=O)N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)C(CC)C
ethyl4(3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
ETHYL4(3((Z)(3BUTAN2YL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERAZINE1CARBOXYLATE
ETHYL4(9METHYL3((3(METHYLPROPYL)4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERAZINECARBOXYLATE
InChI=1SC24H29N5O4S2c1516(4)2922(31)18(3524(29)34)141720(251915(3)87928(19)21(17)30)26101227(131126)23(32)3362h791416H561013H214H3b1814
MFCD03666937
ZINC000001446994
ZINC000001446996

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Available files

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