Vitas-M small molecule compound

2-[(3-methylbutyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK541642
SMILES CC(CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3)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)13-16-32-27-29-25-23-12-5-4-10-21(23)18-28(14-6-7-15-28)24(25)26(31)30(27)22-11-8-9-20(3)17-22/h4-5,8-12,17,19H,6-7,13-16,18H2,1-3H3
InChIKey
NPIHTUPDPYJETQ-UHFFFAOYSA-N
Synonyms
499209-99-3
2((3methylbutyl)sulfanyl)3(3methylphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(3METHYLBUTYLSULFANYL)3(3METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
2(isopentylthio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
499209993
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCCC(C)C
InChI=1SC28H32N2OSc119(2)1316322729252312541021(23)1828(14671528)24(25)26(31)30(27)22118920(3)1722h458121719H67131618H213H3
MFCD03303689
ZINC000002356593
ZINC02356593
ZINC2356593

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Available files

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