Vitas-M small molecule compound
2-{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylacetamide
Catalog ID
STK540882
SMILES O=C(Nc1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)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 C32H31N3O2S MW 521.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O2S/c1-22-14-16-25(17-15-22)35-30(37)28-29(34-31(35)38-21-27(36)33-24-11-4-2-5-12-24)26-13-7-6-10-23(26)20-32(28)18-8-3-9-19-32/h2,4-7,10-17H,3,8-9,18-21H2,1H3,(H,33,36)InChIKey
UWUNXRHDPSKYGF-UHFFFAOYSA-NSynonyms
384794-40-52((3(4methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)Nphenylacetamide
2((4oxo3(ptolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)Nphenylacetamide
2(3(4METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLNPHENYLACETAMIDE
384794405
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)NC6=CC=CC=C6
InChI=1SC32H31N3O2Sc122141625(171522)3530(37)2829(3431(35)382127(36)3324114251224)2613761023(26)2032(28)188391932h2471017H3891821H21H3(H3336)
MFCD03284088
ZINC000001836447
ZINC01836447
ZINC1836447
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