Vitas-M small molecule compound
2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Catalog ID
STL441026
SMILES CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c(c1=O)C1(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 C27H26F3N3O2S MW 513.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F3N3O2S/c1-2-33-24(35)22-23(18-10-4-3-9-17(18)15-26(22)13-7-8-14-26)32-25(33)36-16-21(34)31-20-12-6-5-11-19(20)27(28,29)30/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,31,34)InChIKey
KUJKWBRQKHMIET-UHFFFAOYSA-NSynonyms
2((3ethyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)N(2(trifluoromethyl)phenyl)acetamide
2(3ETHYL4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLN(2(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)NC5=CC=CC=C5C(F)(F)F
InChI=1SC27H26F3N3O2Sc123324(35)2223(181043917(18)1526(22)13781426)3225(33)361621(34)312012651119(20)27(2829)30h36912H2781316H21H3(H3134)
MFCD06243755
ZINC000003771691
ZINC03771691
ZINC3771691
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