Vitas-M small molecule compound

8-ethyl-2-[4-({4-methyl-3,5-bis[(propan-2-yloxy)carbonyl]thiophen-2-yl}carbamothioyl)piperazin-1-yl]-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

Catalog ID
STK687078
SMILES CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)Nc1sc(c(c1C(=O)OC(C)C)C)C(=O)OC(C)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 C28H34N6O7S2 MW 630.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N6O7S2/c1-7-32-13-18(24(36)37)20(35)17-12-29-27(30-22(17)32)33-8-10-34(11-9-33)28(42)31-23-19(25(38)40-14(2)3)16(6)21(43-23)26(39)41-15(4)5/h12-15H,7-11H2,1-6H3,(H,31,42)(H,36,37)
InChIKey
WFNQYNOBQNYMTC-UHFFFAOYSA-N
Synonyms
898057-06-2
898057062
8ETHYL2(4((4METHYL35BIS((PROPAN2YLOXY)CARBONYL)THIOPHEN2YL)CARBAMOTHIOYL)PIPERAZIN1YL)5OXO58DIHYDROPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
8ETHYL2(4((4METHYL35BIS(PROPAN2YLOXYCARBONYL)THIOPHEN2YL)CARBAMOTHIOYL)PIPERAZIN1YL)5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=C(C(=C(S4)C(=O)OC(C)C)C)C(=O)OC(C)C)C(=O)O
InChI=1SC28H34N6O7S2c17321318(24(36)37)20(35)17122927(3022(17)32)3381034(11933)28(42)312319(25(38)4014(2)3)16(6)21(4323)26(39)4115(4)5h1215H711H216H3(H3142)(H3637)
MFCD06735585
ZINC000098008167
ZINC98008167

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Available files

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