Vitas-M small molecule compound

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

Catalog ID
STK549581
SMILES O=C(Nc1ccc(cc1)NC(=O)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

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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 C34H34N4O3S MW 578.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N4O3S/c1-23(39)35-26-13-15-27(16-14-26)36-29(40)22-42-33-37-31-28-12-6-5-11-25(28)21-34(18-7-8-19-34)30(31)32(41)38(33)20-17-24-9-3-2-4-10-24/h2-6,9-16H,7-8,17-22H2,1H3,(H,35,39)(H,36,40)
InChIKey
KFASWUXGPAPKKK-UHFFFAOYSA-N
Synonyms

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)C5(CCCC5)CC6=CC=CC=C63
InChI=1SC34H34N4O3Sc123(39)3526131527(161426)3629(40)22423337312812651125(28)2134(18781934)30(31)32(41)38(33)20172493241024h26916H781722H21H3(H3539)(H3640)
MFCD03687510
N(4(acetylamino)phenyl)2((4oxo3(2phenylethyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetamide
N(4acetamidophenyl)2((4oxo3phenethyl46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetamide
N(4acetamidophenyl)2(4oxo3(2phenylethyl)spiro(6Hbenzo(h)quinazoline51cyclopentane)2yl)sulfanylacetamide
N(4ACETAMIDOPHENYL)2(4OXO3PHENETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETAMIDE
ZINC000001874226
ZINC01874226
ZINC1874226

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Available files

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