Vitas-M small molecule compound
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK019698
SMILES CC(CCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)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 C28H38N2O2S MW 466.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O2S/c1-19(2)12-16-33-26-29-24-22-10-6-5-9-20(22)17-28(13-7-8-14-28)23(24)25(31)30(26)21-11-15-32-27(3,4)18-21/h5-6,9-10,19,21H,7-8,11-18H2,1-4H3InChIKey
OUGLQQZWRYENOJ-UHFFFAOYSA-NSynonyms
3(22DIMETHYLOXAN4YL)2(3METHYLBUTYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3(22DIMETHYLTETRAHYDRO2HPYRAN4YL)2((3METHYLBUTYL)SULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)4(6H)ONE
3(22DIMETHYLTETRAHYDRO2HPYRAN4YL)2(ISOPENTYLSULFANYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
3(22dimethyltetrahydro2Hpyran4yl)2(isopentylthio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
CC(C)CCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCC4)CC5=CC=CC=C52
CC(CCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)C)CCCC3)C
InChI=1SC28H38N2O2Sc119(2)121633262924221065920(22)1728(13781428)23(24)25(31)30(26)2111153227(34)1821h569101921H781118H214H3
MFCD01548484
STK019698
ZINC000001836422
ZINC000001836423
Check stock
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Check stock on Vitas-MAvailable files
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