Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK549377
SMILES Brc1ccc(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 C29H25BrN2O3S MW 561.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25BrN2O3S/c30-21-11-9-19(10-12-21)24(33)18-36-28-31-26-23-8-2-1-6-20(23)16-29(13-3-4-14-29)25(26)27(34)32(28)17-22-7-5-15-35-22/h1-2,5-12,15H,3-4,13-14,16-18H2InChIKey
VIXOJFNBUCOTBY-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)3(furan2ylmethyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((2(4bromophenyl)2oxoethyl)thio)3(furan2ylmethyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3(FURAN2YLMETHYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=C(C=C5)Br)CC6=CC=CO6
InChI=1SC29H25BrN2O3Sc302111919(101221)24(33)183628312623821620(23)1629(13341429)25(26)27(34)32(28)172275153522h1251215H3413141618H2
MFCD03685628
ZINC000001900351
ZINC01900351
ZINC1900351
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