Vitas-M small molecule compound

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

Catalog ID
STK929866
SMILES O=C(NC(c1ccccc1)c1ccccc1)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 C39H37N3O2S MW 611.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H37N3O2S/c43-33(40-35(29-16-6-2-7-17-29)30-18-8-3-9-19-30)27-45-38-41-36-32-21-11-10-20-31(32)26-39(23-12-13-24-39)34(36)37(44)42(38)25-22-28-14-4-1-5-15-28/h1-11,14-21,35H,12-13,22-27H2,(H,40,43)
InChIKey
NPQQPVOFSNGTNQ-UHFFFAOYSA-N
Synonyms

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6)CCC7=CC=CC=C7
InChI=1SC39H37N3O2Sc4333(4035(29166271729)30188391930)2745384136322111102031(32)2639(2312132439)34(36)37(44)42(38)252228144151528h111142135H12132227H2(H4043)
MFCD04076236
N(diphenylmethyl)2((4oxo3(2phenylethyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetamide
Nbenzhydryl2((4oxo3phenethyl46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetamide
Nbenzhydryl2(4oxo3(2phenylethyl)spiro(6Hbenzo(h)quinazoline51cyclopentane)2yl)sulfanylacetamide
NBENZHYDRYL2(4OXO3PHENETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETAMIDE
ZINC000102830965
ZINC102830965

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Available files

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