Vitas-M small molecule compound
2-[(4-bromobenzyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK530263
SMILES Cc1cccc(c1)n1c(SCc2ccc(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 C31H29BrN2OS MW 557.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29BrN2OS/c1-21-8-7-10-25(18-21)34-29(35)27-28(33-30(34)36-20-22-12-14-24(32)15-13-22)26-11-4-3-9-23(26)19-31(27)16-5-2-6-17-31/h3-4,7-15,18H,2,5-6,16-17,19-20H2,1H3InChIKey
CDRFQELBNNAAKT-UHFFFAOYSA-NSynonyms
2((4bromobenzyl)sulfanyl)3(3methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4bromobenzyl)thio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4BROMOPHENYL)METHYLSULFANYL)3(3METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=CC=C(C=C6)Br
InChI=1SC31H29BrN2OSc121871025(1821)3429(35)2728(3330(34)362022121424(32)151322)261143923(26)1931(27)165261731h3471518H25616171920H21H3
MFCD01993035
ZINC000001828250
ZINC01828250
ZINC1828250
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