Vitas-M small molecule compound

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

Catalog ID
STK835485
SMILES COc1ccccc1n1c(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 C27H30N2O2S MW 446.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O2S/c1-18(2)32-26-28-24-20-12-6-5-11-19(20)17-27(15-9-4-10-16-27)23(24)25(30)29(26)21-13-7-8-14-22(21)31-3/h5-8,11-14,18H,4,9-10,15-17H2,1-3H3
InChIKey
WWTRXHLKCPYDRZ-UHFFFAOYSA-N
Synonyms

2(isopropylthio)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(2methoxyphenyl)2(propan2ylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(2METHOXYPHENYL)2PROPAN2YLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC(C)SC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC27H30N2O2Sc118(2)322628242012651119(20)1727(1594101627)23(24)25(30)29(26)2113781422(21)313h58111418H49101517H213H3
MFCD01993006
ZINC000002298482
ZINC02298482
ZINC2298482

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Available files

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