Vitas-M small molecule compound

3-cyclopentyl-2-(prop-2-yn-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK089784
SMILES C#CCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCC1)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 C24H26N2OS MW 390.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2OS/c1-2-15-28-23-25-21-19-12-6-3-9-17(19)16-24(13-7-8-14-24)20(21)22(27)26(23)18-10-4-5-11-18/h1,3,6,9,12,18H,4-5,7-8,10-11,13-16H2
InChIKey
QPNZWJPETPYSLD-UHFFFAOYSA-N
Synonyms
330179-86-7
330179867
3CYCLOPENTYL2(2PROPYNYLSULFANYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
3CYCLOPENTYL2(PROP2YN1YLSULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)4(6H)ONE
3cyclopentyl2(prop2yn1ylthio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3CYCLOPENTYL2PROP2YNYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3CYCLOPENTYL2PROP2YNYLTHIOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
C#CCSC1=NC2=C(C(=O)N1C3CCCC3)C4(CCCC4)CC5=CC=CC=C52
C#CCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCC1)CCCC3
InChI=1SC24H26N2OSc121528232521191263917(19)1624(13781424)20(21)22(27)26(23)1810451118h13691218H457810111316H2
MFCD01558105
STK089784
ZINC000002183050
ZINC02183050
ZINC2183050

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Available files

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