Vitas-M small molecule compound

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK096008
SMILES Cc1ccc(cc1)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/c1-20-8-14-24(15-9-20)34-29(36)27-28(25-7-3-2-6-22(25)18-31(27)16-4-5-17-31)33-30(34)37-19-26(35)21-10-12-23(32)13-11-21/h2-3,6-15H,4-5,16-19H2,1H3
InChIKey
QPWQUCNVTWVCAZ-UHFFFAOYSA-N
Synonyms

2((2(4BROMOPHENYL)2OXOETHYL)SULFANYL)3(4METHYLPHENYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)4(6H)ONE
2((2(4BROMOPHENYL)2OXOETHYL)SULFANYL)3(4METHYLPHENYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
2((2(4bromophenyl)2oxoethyl)thio)3(ptolyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3(4METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Br
Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1
InChI=1SC31H27BrN2O2Sc12081424(15920)3429(36)2728(25732622(25)1831(27)16451731)3330(34)371926(35)21101223(32)131121h23615H451619H21H3
MFCD01558914
STK096008
ZINC000001796272
ZINC01796272
ZINC1796272

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Available files

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