Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK530693
SMILES Brc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3
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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/c1-21-9-3-6-12-26(21)35-30(37)28-29(34-31(35)38-20-27(36)22-13-15-24(33)16-14-22)25-11-5-4-10-23(25)19-32(28)17-7-2-8-18-32/h3-6,9-16H,2,7-8,17-20H2,1H3InChIKey
JFCQSZKMBSYFCY-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)3(2methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2(4bromophenyl)2oxoethyl)thio)3(otolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3(2METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Br
InChI=1SC32H29BrN2O2Sc1219361226(21)3530(37)2829(3431(35)382027(36)22131524(33)161422)2511541023(25)1932(28)177281832h36916H2781720H21H3
MFCD01993049
ZINC000101065076
ZINC101065076
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