Vitas-M small molecule compound
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK563072
SMILES Oc1nc(CSc2nc3c4ccccc4CC4(c3c(=O)n2C2CCOC(C2)(C)C)CCCC4)nc2c1C1(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 C41H46N4O3S MW 674.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H46N4O3S/c1-39(2)24-28(16-21-48-39)45-37(47)33-35(30-15-7-5-13-27(30)23-41(33)19-10-11-20-41)44-38(45)49-25-31-42-34-29-14-6-4-12-26(29)22-40(17-8-3-9-18-40)32(34)36(46)43-31/h4-7,12-15,28H,3,8-11,16-25H2,1-2H3,(H,42,43,46)InChIKey
WFPCACVQYOAFGR-UHFFFAOYSA-NSynonyms
2(((3(22DIMETHYLTETRAHYDRO2HPYRAN4YL)4OXO46DIHYDRO3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)2YL)SULFANYL)METHYL)1HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
2((3(22DIMETHYLOXAN4YL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLMETHYL)SPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(22dimethyltetrahydro2Hpyran4yl)2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC6=NC(=O)C7=C(N6)C8=CC=CC=C8CC79CCCCC9)C
InChI=1SC41H46N4O3Sc139(2)2428(16214839)4537(47)3335(3015751327(30)2341(33)1910112041)4438(45)49253142342914641226(29)2240(178391840)32(34)36(46)4331h47121528H38111625H212H3(H424346)
MFCD03808461
ZINC000150428552
ZINC000150428556
Check stock
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