Vitas-M small molecule compound

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

Catalog ID
STK611308
SMILES C=CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)C(=O)OCC)/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 C22H23N5O4S2 MW 485.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S2/c1-3-8-27-20(29)16(33-22(27)32)14-15-18(23-17-7-5-6-9-26(17)19(15)28)24-10-12-25(13-11-24)21(30)31-4-2/h3,5-7,9,14H,1,4,8,10-13H2,2H3/b16-14-
InChIKey
GCORCNQLMOAJKS-PEZBUJJGSA-N
Synonyms
607692-85-3
(Z)ethyl4(3((3allyl4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
607692853
C=CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)C(=O)OCC)C1=O
CCOC(=O)N1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC=C
ETHYL4(4OXO3((4OXO3PROP2ENYL2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERAZINECARBOXYLATE
ethyl4(4oxo3((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
ETHYL4(4OXO3((Z)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDO(12A)PYRIMIDIN2YL)PIPERAZINE1CARBOXYLATE
InChI=1SC22H23N5O4S2c1382720(29)16(3322(27)32)141518(2317756926(17)19(15)28)24101225(131124)21(30)3142h357914H1481013H22H3b1614
MFCD03666244
ZINC000008768290
ZINC8768290

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.