Vitas-M small molecule compound

8-ethyl-5-oxo-2-{4-[(9H-xanthen-9-ylcarbonyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

Catalog ID
STK333584
SMILES CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)C1c2ccccc2Oc2c1cccc2

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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 C29H26N6O5S MW 570.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N6O5S/c1-2-33-16-20(27(38)39)24(36)19-15-30-28(31-25(19)33)34-11-13-35(14-12-34)29(41)32-26(37)23-17-7-3-5-9-21(17)40-22-10-6-4-8-18(22)23/h3-10,15-16,23H,2,11-14H2,1H3,(H,38,39)(H,32,37,41)
InChIKey
MXISJWFXBBXOJB-UHFFFAOYSA-N
Synonyms
696624-22-3
2(4((9HXANTHENE9CARBONYL)CARBAMOTHIOYL)PIPERAZIN1YL)8ETHYL5OXO58DIHYDROPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
2(4(9HXANTHENE9CARBONYLCARBAMOTHIOYL)PIPERAZIN1YL)8ETHYL5OXO58DIHYDROPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
696624223
8ethyl5oxo2(4((9Hxanthen9ylcarbonyl)carbamothioyl)piperazin1yl)58dihydropyrido(23d)pyrimidine6carboxylicacid
8ETHYL5OXO2(4(9HXANTHENE9CARBONYLCARBAMOTHIOYL)PIPERAZIN1YL)PYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46)C(=O)O
InChI=1SC29H26N6O5Sc12331620(27(38)39)24(36)19153028(3125(19)33)34111335(141234)29(41)3226(37)2317735921(17)40221064818(22)23h310151623H21114H21H3(H3839)(H323741)
MFCD03695094
ZINC000029064337
ZINC29064337

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Available files

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