Vitas-M small molecule compound
2-(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)-N-(prop-2-en-1-yl)hydrazinecarbothioamide
Catalog ID
STK531688
SMILES C=CCNC(=S)NNc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3
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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 C28H31N5OS MW 485.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5OS/c1-2-17-29-27(35)32-31-26-30-24-22-14-8-7-13-21(22)18-28(15-9-4-10-16-28)23(24)25(34)33(26)19-20-11-5-3-6-12-20/h2-3,5-8,11-14H,1,4,9-10,15-19H2,(H,30,31)(H2,29,32,35)InChIKey
YEKSBAKGAJELGQ-UHFFFAOYSA-NSynonyms
1((3BENZYL4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)AMINO)3PROP2ENYLTHIOUREA
2(3benzyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)N(prop2en1yl)hydrazinecarbothioamide
C=CCNC(=S)NNC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC28H31N5OSc12172927(35)32312630242214871321(22)1828(1594101628)23(24)25(34)33(26)1920115361220h23581114H149101519H2(H3031)(H2293235)
MFCD02239321
Nallyl2(3benzyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)hydrazinecarbothioamide
ZINC000001806019
ZINC01806019
ZINC1806019
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