Vitas-M small molecule compound

N-[(4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-3-yl)carbamothioyl]benzamide

Catalog ID
STK528153
SMILES S=C(Nn1cnc2c(c1=O)C1(CCCCC1)Cc1c2cccc1)NC(=O)c1ccccc1

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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 C25H24N4O2S MW 444.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O2S/c30-22(17-9-3-1-4-10-17)27-24(32)28-29-16-26-21-19-12-6-5-11-18(19)15-25(20(21)23(29)31)13-7-2-8-14-25/h1,3-6,9-12,16H,2,7-8,13-15H2,(H2,27,28,30,32)
InChIKey
NCDOOVAFYKWWGF-UHFFFAOYSA-N
Synonyms
331837-31-1
331837311
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C=N4)NC(=S)NC(=O)C5=CC=CC=C5
InChI=1SC25H24N4O2Sc3022(1793141017)2724(32)28291626211912651118(19)1525(20(21)23(29)31)137281425h13691216H2781315H2(H227283032)
MFCD00824565
N((4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)3yl)carbamothioyl)benzamide
N((4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)3YL)CARBAMOTHIOYL)BENZAMIDE
NBENZOYLN(4OXO56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)3(4H)YL)THIOUREA
ZINC000000712173
ZINC00712173
ZINC712173

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Available files

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