Vitas-M small molecule compound

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

Catalog ID
STK547451
SMILES CCCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCC3)CCCC

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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 C33H41N3O2S MW 543.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N3O2S/c1-4-6-20-35(21-7-5-2)28(37)23-39-32-34-30-26-16-10-9-15-25(26)22-33(18-12-13-19-33)29(30)31(38)36(32)27-17-11-8-14-24(27)3/h8-11,14-17H,4-7,12-13,18-23H2,1-3H3
InChIKey
QKMMOIUGLQWFKS-UHFFFAOYSA-N
Synonyms
488843-17-0
488843170
CCCCN(CCCC)C(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC33H41N3O2Sc1462035(21752)28(37)233932343026161091525(26)2233(1812131933)29(30)31(38)36(32)27171181424(27)3h8111417H4712131823H213H3
MFCD03294477
NNdibutyl2((3(2methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetamide
NNdibutyl2((4oxo3(otolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetamide
NNDIBUTYL2(3(2METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETAMIDE
ZINC000002199245
ZINC2199245

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Available files

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