Vitas-M small molecule compound
N-(2-methylphenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Catalog ID
STK551425
SMILES O=C(Nc1ccccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCC3
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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 C29H31N3O2S MW 485.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O2S/c1-19(2)17-32-27(34)25-26(22-12-6-5-11-21(22)16-29(25)14-8-9-15-29)31-28(32)35-18-24(33)30-23-13-7-4-10-20(23)3/h4-7,10-13H,1,8-9,14-18H2,2-3H3,(H,30,33)InChIKey
SYYMDLBPBZDUJJ-UHFFFAOYSA-NSynonyms
836650-94-32((3(2methylallyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)N(otolyl)acetamide
836650943
CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CC(=C)C)C4(CCCC4)CC5=CC=CC=C53
InChI=1SC29H31N3O2Sc119(2)173227(34)2526(2212651121(22)1629(25)14891529)3128(32)351824(33)302313741020(23)3h471013H1891418H223H3(H3033)
MFCD03692209
N(2methylphenyl)2((3(2methylprop2en1yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetamide
N(2METHYLPHENYL)2(3(2METHYLPROP2ENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETAMIDE
ZINC000002253854
ZINC02253854
ZINC2253854
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