Vitas-M small molecule compound

6-(butylsulfanyl)-8-(4-methylphenyl)-2,3,4,8-tetrahydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidine

Catalog ID
STK640936
SMILES CCCCSc1nc2n(ncc2c2=NCCCn12)c1ccc(cc1)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 C19H23N5S MW 353.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N5S/c1-3-4-12-25-19-22-18-16(17-20-10-5-11-23(17)19)13-21-24(18)15-8-6-14(2)7-9-15/h6-9,13H,3-5,10-12H2,1-2H3
InChIKey
YGKKFEYQSYBZQK-UHFFFAOYSA-N
Synonyms
1010924-04-5
1010924045
6(butylsulfanyl)8(4methylphenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidine
6(butylthio)8(ptolyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidine
CCCCSC1=NC2=C(C=NN2C3=CC=C(C=C3)C)C4=NCCCN41
InChI=1SC19H23N5Sc134122519221816(17201051123(17)19)132124(18)158614(2)7915h6913H351012H212H3
MFCD12204653
ZINC000012409346
ZINC12409346

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Available files

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