Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK532720
SMILES Brc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)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 C31H27BrN2O2S MW 571.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27BrN2O2S/c1-20-8-2-5-11-25(20)34-29(36)27-28(24-10-4-3-9-22(24)18-31(27)16-6-7-17-31)33-30(34)37-19-26(35)21-12-14-23(32)15-13-21/h2-5,8-15H,6-7,16-19H2,1H3InChIKey
BYTQIBWAAWTNQN-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)3(2methylphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((2(4bromophenyl)2oxoethyl)thio)3(otolyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3(2METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Br
InChI=1SC31H27BrN2O2Sc1208251125(20)3429(36)2728(241043922(24)1831(27)16671731)3330(34)371926(35)21121423(32)151321h25815H671619H21H3
MFCD02763691
ZINC000002586960
ZINC2586960
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