Vitas-M small molecule compound

2-[(4-hydroxy-9-methyl-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide

Catalog ID
STL038699
SMILES O=C(CSc1nc(O)c2c(n1)c1cc(C)ccc1CC12CCCCC1)NCCc1ccccc1

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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 C28H31N3O2S MW 473.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S/c1-19-10-11-21-17-28(13-6-3-7-14-28)24-25(22(21)16-19)30-27(31-26(24)33)34-18-23(32)29-15-12-20-8-4-2-5-9-20/h2,4-5,8-11,16H,3,6-7,12-15,17-18H2,1H3,(H,29,32)(H,30,31,33)
InChIKey
PATUBVYSYRBBNF-UHFFFAOYSA-N
Synonyms
488111-28-0
2((4hydroxy9methyl6Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(2phenylethyl)acetamide
2((9METHYL4OXO46DIHYDRO1HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)2YL)SULFANYL)N(2PHENYLETHYL)ACETAMIDE
2(9methyl4oxospiro(16dihydrobenzo(h)quinazoline51cyclohexane)2yl)sulfanylN(2phenylethyl)acetamide
2(9METHYL4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLNPHENETHYLACETAMIDE
488111280
CC1=CC2=C(CC3(CCCCC3)C4=C2NC(=NC4=O)SCC(=O)NCCC5=CC=CC=C5)C=C1
InChI=1SC28H31N3O2Sc1191011211728(136371428)2425(22(21)1619)3027(3126(24)33)341823(32)291512208425920h24581116H36712151718H21H3(H2932)(H303133)
MFCD03801990
ZINC000017124780
ZINC17124780

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Available files

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