Vitas-M small molecule compound

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

Catalog ID
STK556180
SMILES O=C(Nc1cc(Cl)ccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

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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 C33H32ClN3O2S MW 570.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32ClN3O2S/c1-22-14-15-25(34)18-27(22)35-28(38)21-40-32-36-30-26-13-7-6-12-24(26)19-33(16-8-3-9-17-33)29(30)31(39)37(32)20-23-10-4-2-5-11-23/h2,4-7,10-15,18H,3,8-9,16-17,19-21H2,1H3,(H,35,38)
InChIKey
WEQWVJLWRUKXCC-UHFFFAOYSA-N
Synonyms

2((3benzyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(5chloro2methylphenyl)acetamide
2((3benzyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)N(5chloro2methylphenyl)acetamide
2(3BENZYL4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLN(5CHLORO2METHYLPHENYL)ACETAMIDE
CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC33H32ClN3O2Sc122141525(34)1827(22)3528(38)21403236302613761224(26)1933(168391733)29(30)31(39)37(32)2023104251123h247101518H38916171921H21H3(H3538)
MFCD04016230
ZINC000001874974
ZINC01874974
ZINC1874974

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Available files

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