Vitas-M small molecule compound
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-thioxo-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK700205
SMILES O=c1n(C2CCOC(C2)(C)C)c(=S)[nH]c2c1C1(CCCC1)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 C23H28N2O2S MW 396.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O2S/c1-22(2)14-16(9-12-27-22)25-20(26)18-19(24-21(25)28)17-8-4-3-7-15(17)13-23(18)10-5-6-11-23/h3-4,7-8,16H,5-6,9-14H2,1-2H3,(H,24,28)InChIKey
FYOXBDIIJPHVCM-UHFFFAOYSA-NSynonyms
295313-61-03(22DIMETHYLOXAN4YL)2SULFANYLIDENESPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3(22dimethyltetrahydro2Hpyran4yl)2thioxo23dihydro1Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)NC2=S)C
InChI=1SC23H28N2O2Sc122(2)1416(9122722)2520(26)1819(2421(25)28)17843715(17)1323(18)10561123h347816H56914H212H3(H2428)
MFCD01174961
O=c1n(C2CCOC(C2)(C)C)c(=S)(nH)c2c1C1(CCCC1)Cc1c2cccc1
ZINC000001252195
ZINC000001252196
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