Vitas-M small molecule compound

N-(2-chlorophenyl)-2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide

Catalog ID
STK555774
SMILES CCCn1c(SCC(=O)Nc2ccccc2Cl)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 C28H30ClN3O2S MW 508.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN3O2S/c1-2-16-32-26(34)24-25(20-11-5-4-10-19(20)17-28(24)14-8-3-9-15-28)31-27(32)35-18-23(33)30-22-13-7-6-12-21(22)29/h4-7,10-13H,2-3,8-9,14-18H2,1H3,(H,30,33)
InChIKey
LMVQRULNJQPLAT-UHFFFAOYSA-N
Synonyms
843617-78-7
843617787
CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NC5=CC=CC=C5Cl
InChI=1SC28H30ClN3O2Sc12163226(34)2425(2011541019(20)1728(24)148391528)3127(32)351823(33)302213761221(22)29h471013H23891418H21H3(H3033)
MFCD04013517
N(2chlorophenyl)2((4oxo3propyl46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
N(2chlorophenyl)2((4oxo3propyl46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamide
N(2CHLOROPHENYL)2(4OXO3PROPYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000002233739
ZINC02233739
ZINC2233739

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.