Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK698831
SMILES Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)C1(CCCCC1)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 C32H29BrN2O2S MW 585.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29BrN2O2S/c1-21-9-15-25(16-10-21)35-30(37)28-29(34-31(35)38-20-27(36)22-11-13-24(33)14-12-22)26-8-4-3-7-23(26)19-32(28)17-5-2-6-18-32/h3-4,7-16H,2,5-6,17-20H2,1H3InChIKey
KOHHMGJHFMHPAN-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)3(4methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2(4bromophenyl)2oxoethyl)thio)3(ptolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3(4METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Br
InChI=1SC32H29BrN2O2Sc12191525(161021)3530(37)2829(3431(35)382027(36)22111324(33)141222)26843723(26)1932(28)175261832h34716H2561720H21H3
MFCD01807032
ZINC000101176695
ZINC101176695
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