Vitas-M small molecule compound

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

Catalog ID
STK565957
SMILES COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)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 C34H34ClN3O3S MW 600.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34ClN3O3S/c1-41-28-15-14-25(20-27(28)35)36-29(39)22-42-33-37-31-26-13-7-6-12-24(26)21-34(17-8-3-9-18-34)30(31)32(40)38(33)19-16-23-10-4-2-5-11-23/h2,4-7,10-15,20H,3,8-9,16-19,21-22H2,1H3,(H,36,39)
InChIKey
BJPRTLWYTJIBHM-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63)Cl
InChI=1SC34H34ClN3O3Sc14128151425(2027(28)35)3629(39)22423337312613761224(26)2134(178391834)30(31)32(40)38(33)191623104251123h247101520H38916192122H21H3(H3639)
MFCD04079755
N(3chloro4methoxyphenyl)2((4oxo3(2phenylethyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
N(3chloro4methoxyphenyl)2((4oxo3phenethyl46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamide
N(3chloro4methoxyphenyl)2(4oxo3(2phenylethyl)spiro(6Hbenzo(h)quinazoline51cyclohexane)2yl)sulfanylacetamide
N(3CHLORO4METHOXYPHENYL)2(4OXO3PHENETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000102538517
ZINC102538517

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Available files

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