Vitas-M small molecule compound

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

Catalog ID
STK805033
SMILES CC(Sc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccc(cc1)C)CCCCC3)C

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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 C28H32N2OS MW 444.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2OS/c1-19(2)32-27-29-25-23-10-6-5-9-22(23)17-28(15-7-4-8-16-28)24(25)26(31)30(27)18-21-13-11-20(3)12-14-21/h5-6,9-14,19H,4,7-8,15-18H2,1-3H3
InChIKey
PFZSEMNLASAAIV-UHFFFAOYSA-N
Synonyms

2(isopropylthio)3(4methylbenzyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3((4METHYLPHENYL)METHYL)2PROPAN2YLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(4methylbenzyl)2(propan2ylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SC(C)C
InChI=1SC28H32N2OSc119(2)32272925231065922(23)1728(157481628)24(25)26(31)30(27)1821131120(3)121421h5691419H4781518H213H3
MFCD01807177
ZINC000001826880
ZINC01826880
ZINC1826880

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Available files

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