Vitas-M small molecule compound

3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-ethyl-5-methyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one

Catalog ID
STK552100
SMILES CCC1(C)Cc2ccccc2c2c1c(=O)n(c(n2)SCC(=O)c1ccc(cc1)Br)Cc1ccccc1

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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 C30H27BrN2O2S MW 559.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27BrN2O2S/c1-3-30(2)17-22-11-7-8-12-24(22)27-26(30)28(35)33(18-20-9-5-4-6-10-20)29(32-27)36-19-25(34)21-13-15-23(31)16-14-21/h4-16H,3,17-19H2,1-2H3
InChIKey
SKQDQZUXMLPTIR-UHFFFAOYSA-N
Synonyms

3benzyl2((2(4bromophenyl)2oxoethyl)sulfanyl)5ethyl5methyl56dihydrobenzo(h)quinazolin4(3H)one
3benzyl2((2(4bromophenyl)2oxoethyl)thio)5ethyl5methyl56dihydrobenzo(h)quinazolin4(3H)one
3BENZYL2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL5ETHYL5METHYL6HBENZO(H)QUINAZOLIN4ONE
CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)CC5=CC=CC=C5)C
InChI=1SC30H27BrN2O2Sc1330(2)172211781224(22)2726(30)28(35)33(182095461020)29(3227)361925(34)21131523(31)161421h416H31719H212H3
MFCD03689146
ZINC000001873605
ZINC000001873606

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Available files

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