Vitas-M small molecule compound

2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide

Catalog ID
STK831347
SMILES NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)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 C26H27N3O2S MW 445.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O2S/c1-17-8-7-10-19(14-17)29-24(31)22-23(28-25(29)32-16-21(27)30)20-11-4-3-9-18(20)15-26(22)12-5-2-6-13-26/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H2,27,30)
InChIKey
FYCUEJKWVXAIAE-UHFFFAOYSA-N
Synonyms

2((3(3methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
2((3(3METHYLPHENYL)4OXO46DIHYDRO3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)2YL)THIO)ACETAMIDE
2((4oxo3(mtolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamide
2(3(3METHYLPHENYL)4OXOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YLTHIO)ACETAMIDE
2(3(3METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)N
InChI=1SC26H27N3O2Sc117871019(1417)2924(31)2223(2825(29)321621(27)30)201143918(20)1526(22)125261326h3471114H25612131516H21H3(H22730)
MFCD01993034
ZINC000000985183
ZINC00985183
ZINC985183

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Available files

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