Vitas-M small molecule compound

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

Catalog ID
STK542952
SMILES O=C(Nc1cccc(c1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)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 C34H35N3O2S MW 549.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35N3O2S/c1-24-11-10-15-27(21-24)35-29(38)23-40-33-36-31-28-16-7-6-14-26(28)22-34(18-8-3-9-19-34)30(31)32(39)37(33)20-17-25-12-4-2-5-13-25/h2,4-7,10-16,21H,3,8-9,17-20,22-23H2,1H3,(H,35,38)
InChIKey
BWEMOKQMXXGYBS-UHFFFAOYSA-N
Synonyms
489423-38-3
2((4oxo3phenethyl46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)N(mtolyl)acetamide
489423383
CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC34H35N3O2Sc12411101527(2124)3529(38)23403336312816761426(28)2234(188391934)30(31)32(39)37(33)201725124251325h247101621H38917202223H21H3(H3538)
MFCD03296862
N(3methylphenyl)2((4oxo3(2phenylethyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
N(3methylphenyl)2(4oxo3(2phenylethyl)spiro(6Hbenzo(h)quinazoline51cyclohexane)2yl)sulfanylacetamide
N(3METHYLPHENYL)2(4OXO3PHENETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000001782735
ZINC01782735
ZINC1782735

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Available files

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