Vitas-M small molecule compound

2-(propan-2-ylsulfanyl)-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK805049
SMILES C=CCn1c(SC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

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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 C23H28N2OS MW 380.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2OS/c1-4-14-25-21(26)19-20(24-22(25)27-16(2)3)18-11-7-6-10-17(18)15-23(19)12-8-5-9-13-23/h4,6-7,10-11,16H,1,5,8-9,12-15H2,2-3H3
InChIKey
HRNBQGFNDQKUED-UHFFFAOYSA-N
Synonyms

2(METHYLETHYLTHIO)3PROP2ENYLSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
2(propan2ylsulfanyl)3(prop2en1yl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2PROPAN2YLSULFANYL3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3ALLYL2(ISOPROPYLSULFANYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)4(3H)ONE
3allyl2(isopropylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
CC(C)SC1=NC2=C(C(=O)N1CC=C)C3(CCCCC3)CC4=CC=CC=C42
InChI=1SC23H28N2OSc14142521(26)1920(2422(25)2716(2)3)1811761017(18)1523(19)128591323h467101116H15891215H223H3
MFCD01807146
ZINC000001747173
ZINC01747173
ZINC1747173

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Available files

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