Vitas-M small molecule compound
3-(3-bromophenyl)-2-[(2,4-dimethylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK532192
SMILES Brc1cccc(c1)n1c(SCc2ccc(cc2C)C)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 C32H31BrN2OS MW 571.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31BrN2OS/c1-21-13-14-24(22(2)17-21)20-37-31-34-29-27-12-5-4-9-23(27)19-32(15-6-3-7-16-32)28(29)30(36)35(31)26-11-8-10-25(33)18-26/h4-5,8-14,17-18H,3,6-7,15-16,19-20H2,1-2H3InChIKey
AEKHLYYLBXDCSX-UHFFFAOYSA-NSynonyms
3(3bromophenyl)2((24dimethylbenzyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3bromophenyl)2((24dimethylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3BROMOPHENYL)2((24DIMETHYLPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC(=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Br)C5(CCCCC5)CC6=CC=CC=C63)C
InChI=1SC32H31BrN2OSc121131424(22(2)1721)2037313429271254923(27)1932(156371632)28(29)30(36)35(31)261181025(33)1826h458141718H36715161920H212H3
MFCD02763774
ZINC000001791697
ZINC01791697
ZINC1791697
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