Vitas-M small molecule compound

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

Catalog ID
STK093278
SMILES NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)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 C25H25N3O2S MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O2S/c1-16-8-10-18(11-9-16)28-23(30)21-22(27-24(28)31-15-20(26)29)19-7-3-2-6-17(19)14-25(21)12-4-5-13-25/h2-3,6-11H,4-5,12-15H2,1H3,(H2,26,29)
InChIKey
VDQNFNBQMODDJF-UHFFFAOYSA-N
Synonyms
337496-18-1
2((3(4METHYLPHENYL)4OXO46DIHYDRO3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)2YL)SULFANYL)ACETAMIDE
2((4oxo3(ptolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetamide
2(3(4METHYLPHENYL)4OXOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YLTHIO)ACETAMIDE
2(3(4METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETAMIDE
337496181
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)N
InChI=1SC25H25N3O2Sc11681018(11916)2823(30)2122(2724(28)311520(26)29)19732617(19)1425(21)12451325h23611H451215H21H3(H22629)
MFCD01559031
NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCC3
STK093278
ZINC000000857341
ZINC00857341
ZINC857341

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Available files

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