Vitas-M small molecule compound
ethyl [(4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetate
Catalog ID
STK049483
SMILES CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)[nH]1)CCCCC3
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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 C21H24N2O3S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3S/c1-2-26-16(24)13-27-20-22-18-15-9-5-4-8-14(15)12-21(10-6-3-7-11-21)17(18)19(25)23-20/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,22,23,25)InChIKey
AEJQTARQKSRTCW-UHFFFAOYSA-NSynonyms
312625-91-5312625915
CCOC(=O)CSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC24CCCCC4
CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)(nH)1)CCCCC3
ETHYL((4OXO46DIHYDRO3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)2YL)SULFANYL)ACETATE
ethyl2((4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetate
ETHYL2(4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETATE
InChI=1SC21H24N2O3Sc122616(24)132720221815954814(15)1221(106371121)17(18)19(25)2320h4589H23671013H21H3(H222325)
MFCD01558016
STK049483
ZINC000002208424
ZINC02208424
ZINC2208424
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