Vitas-M small molecule compound
3-ethyl-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK933775
SMILES CCn1c(SCC(=O)c2cc3ccccc3oc2=O)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 C29H26N2O4S MW 498.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O4S/c1-2-31-26(33)24-25(20-11-5-3-10-19(20)16-29(24)13-7-8-14-29)30-28(31)36-17-22(32)21-15-18-9-4-6-12-23(18)35-27(21)34/h3-6,9-12,15H,2,7-8,13-14,16-17H2,1H3InChIKey
UVULTZBYINIOIQ-UHFFFAOYSA-NSynonyms
844454-56-43ethyl2((2oxo2(2oxo2Hchromen3yl)ethyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3ethyl2((2oxo2(2oxo2Hchromen3yl)ethyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3ETHYL2(2OXO2(2OXOCHROMEN3YL)ETHYL)SULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
844454564
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)C5=CC6=CC=CC=C6OC5=O
InChI=1SC29H26N2O4Sc123126(33)2425(2011531019(20)1629(24)13781429)3028(31)361722(32)2115189461223(18)3527(21)34h3691215H27813141617H21H3
MFCD04156726
ZINC000002401893
ZINC02401893
ZINC2401893
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