Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK549733
SMILES Cc1cccc(c1)n1c(SCC(=O)c2ccc(cc2)Br)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 C31H27BrN2O2S MW 571.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27BrN2O2S/c1-20-7-6-9-24(17-20)34-29(36)27-28(25-10-3-2-8-22(25)18-31(27)15-4-5-16-31)33-30(34)37-19-26(35)21-11-13-23(32)14-12-21/h2-3,6-14,17H,4-5,15-16,18-19H2,1H3InChIKey
NHMGPIHPYXLAPV-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)3(3methylphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((2(4bromophenyl)2oxoethyl)thio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3(3METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Br
InChI=1SC31H27BrN2O2Sc12076924(1720)3429(36)2728(251032822(25)1831(27)15451631)3330(34)371926(35)21111323(32)141221h2361417H4515161819H21H3
MFCD03693687
ZINC000001739987
ZINC01739987
ZINC1739987
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