Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK548115
SMILES CCCn1c(SCC(=O)c2ccc(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 C28H29BrN2O2S MW 537.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrN2O2S/c1-2-16-31-26(33)24-25(30-27(31)34-18-23(32)19-10-12-21(29)13-11-19)22-9-5-4-8-20(22)17-28(24)14-6-3-7-15-28/h4-5,8-13H,2-3,6-7,14-18H2,1H3InChIKey
YRPTWGPLGHJUHB-UHFFFAOYSA-NSynonyms
497943-56-32((2(4bromophenyl)2oxoethyl)sulfanyl)3propyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2(4bromophenyl)2oxoethyl)thio)3propyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3PROPYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
497943563
CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)C5=CC=C(C=C5)Br
InChI=1SC28H29BrN2O2Sc12163126(33)2425(3027(31)341823(32)19101221(29)131119)22954820(22)1728(24)146371528h45813H23671418H21H3
MFCD03301503
ZINC000002348156
ZINC2348156
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