Vitas-M small molecule compound
N-(4-bromophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Catalog ID
STK543437
SMILES C=CCn1c(SCC(=O)Nc2ccc(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 C28H28BrN3O2S MW 550.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28BrN3O2S/c1-2-16-32-26(34)24-25(22-9-5-4-8-19(22)17-28(24)14-6-3-7-15-28)31-27(32)35-18-23(33)30-21-12-10-20(29)11-13-21/h2,4-5,8-13H,1,3,6-7,14-18H2,(H,30,33)InChIKey
HICQKNPORVXHOT-UHFFFAOYSA-NSynonyms
2((3allyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)N(4bromophenyl)acetamide
C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NC5=CC=C(C=C5)Br
InChI=1SC28H28BrN3O2Sc12163226(34)2425(22954819(22)1728(24)146371528)3127(32)351823(33)3021121020(29)111321h245813H13671418H2(H3033)
MFCD03299927
N(4bromophenyl)2((4oxo3(prop2en1yl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
N(4BROMOPHENYL)2(4OXO3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000001757447
ZINC01757447
ZINC1757447
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