Vitas-M small molecule compound

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

Catalog ID
STK554333
SMILES O=C(Nc1ccc(cc1C)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)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 C33H39N3O2S MW 541.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39N3O2S/c1-22-15-16-27(23(2)19-22)34-28(37)21-39-32-35-30-26-14-8-7-11-24(26)20-33(17-9-4-10-18-33)29(30)31(38)36(32)25-12-5-3-6-13-25/h7-8,11,14-16,19,25H,3-6,9-10,12-13,17-18,20-21H2,1-2H3,(H,34,37)
InChIKey
LJWWINMXPRAETB-UHFFFAOYSA-N
Synonyms
500275-54-7
2((3cyclohexyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(24dimethylphenyl)acetamide
2((3cyclohexyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)N(24dimethylphenyl)acetamide
2(3CYCLOHEXYL4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLN(24DIMETHYLPHENYL)ACETAMIDE
500275547
CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4CCCCC4)C5(CCCCC5)CC6=CC=CC=C63)C
InChI=1SC33H39N3O2Sc122151627(23(2)1922)3428(37)21393235302614871124(26)2033(1794101833)29(30)31(38)36(32)25125361325h781114161925H36910121317182021H212H3(H3437)
MFCD03303182
ZINC000002261518
ZINC2261518

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Available files

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