Vitas-M small molecule compound
3-(furan-2-ylmethyl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK554463
SMILES Cc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)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 C30H28N2O3S MW 496.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O3S/c1-20-10-12-21(13-11-20)25(33)19-36-29-31-27-24-9-3-2-7-22(24)17-30(14-4-5-15-30)26(27)28(34)32(29)18-23-8-6-16-35-23/h2-3,6-13,16H,4-5,14-15,17-19H2,1H3InChIKey
DHJWZHRSRUMJPB-UHFFFAOYSA-NSynonyms
840474-02-43(furan2ylmethyl)2((2(4methylphenyl)2oxoethyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(furan2ylmethyl)2((2oxo2(ptolyl)ethyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(FURAN2YLMETHYL)2(2(4METHYLPHENYL)2OXOETHYL)SULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
840474024
CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)C5(CCCC5)CC6=CC=CC=C63
InChI=1SC30H28N2O3Sc120101221(131120)25(33)193629312724932722(24)1730(14451530)26(27)28(34)32(29)182386163523h2361316H4514151719H21H3
MFCD04005776
ZINC000008742845
ZINC08742845
ZINC8742845
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