Vitas-M small molecule compound

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

Catalog ID
STK539400
SMILES O=C(Nc1ccccc1C)CSc1nc2c3ccccc3CC3(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 C33H33N3O2S MW 535.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O2S/c1-23-12-6-9-17-27(23)34-28(37)22-39-32-35-30-26-16-8-7-15-25(26)20-33(18-10-3-11-19-33)29(30)31(38)36(32)21-24-13-4-2-5-14-24/h2,4-9,12-17H,3,10-11,18-22H2,1H3,(H,34,37)
InChIKey
LJHQUJXQFRNBGA-UHFFFAOYSA-N
Synonyms
384794-89-2
2((3benzyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(2methylphenyl)acetamide
2((3benzyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)N(otolyl)acetamide
2(3BENZYL4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLN(2METHYLPHENYL)ACETAMIDE
384794892
CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC33H33N3O2Sc12312691727(23)3428(37)22393235302616871525(26)2033(18103111933)29(30)31(38)36(32)2124134251424h2491217H310111822H21H3(H3437)
MFCD03284292
ZINC000001782226
ZINC01782226
ZINC1782226

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Available files

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