Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-(propan-2-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK014383
SMILES COc1ccc(cc1)n1c(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)32-26-28-24-22-10-6-5-9-19(22)17-27(15-7-4-8-16-27)23(24)25(30)29(26)20-11-13-21(31-3)14-12-20/h5-6,9-14,18H,4,7-8,15-17H2,1-3H3InChIKey
RFDAZWFRIOFXRN-UHFFFAOYSA-NSynonyms
337496-33-02(isopropylthio)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4METHOXYPHENYL)2(METHYLETHYLTHIO)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(4METHOXYPHENYL)2(PROPAN2YLSULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
3(4METHOXYPHENYL)2PROPAN2YLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
337496330
CC(C)SC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)C4(CCCCC4)CC5=CC=CC=C52
COc1ccc(cc1)n1c(SC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
InChI=1SC27H30N2O2Sc118(2)32262824221065919(22)1727(157481627)23(24)25(30)29(26)20111321(313)141220h5691418H4781517H213H3
MFCD01558800
STK014383
ZINC000002254562
ZINC02254562
ZINC2254562
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.