Vitas-M small molecule compound

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

Catalog ID
STK549131
SMILES O=C(N(c1ccccc1)c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)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 C37H33N3O2S MW 583.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H33N3O2S/c41-32(40(29-17-6-2-7-18-29)30-19-8-3-9-20-30)26-43-36-38-34-31-21-11-10-16-28(31)24-37(22-12-13-23-37)33(34)35(42)39(36)25-27-14-4-1-5-15-27/h1-11,14-21H,12-13,22-26H2
InChIKey
QCOOXNAIXTUBNY-UHFFFAOYSA-N
Synonyms

2((3benzyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)NNdiphenylacetamide
2((3benzyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)NNdiphenylacetamide
2(3BENZYL4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLNNDIPHENYLACETAMIDE
C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)N(C5=CC=CC=C5)C6=CC=CC=C6)CC7=CC=CC=C7
InChI=1SC37H33N3O2Sc4132(40(29176271829)30198392030)2643363834312111101628(31)2437(2212132337)33(34)35(42)39(36)2527144151527h1111421H12132226H2
MFCD03681147
ZINC000001889342
ZINC01889342
ZINC1889342

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Available files

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