Vitas-M small molecule compound
N-(3-chloro-2-methylphenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Catalog ID
STK556097
SMILES COc1cccc(c1)n1c(SCC(=O)Nc2cccc(c2C)Cl)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 C33H32ClN3O3S MW 586.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32ClN3O3S/c1-21-26(34)14-9-15-27(21)35-28(38)20-41-32-36-30-25-13-5-4-10-22(25)19-33(16-6-3-7-17-33)29(30)31(39)37(32)23-11-8-12-24(18-23)40-2/h4-5,8-15,18H,3,6-7,16-17,19-20H2,1-2H3,(H,35,38)InChIKey
UWILDPHWGNBJDU-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC33H32ClN3O3Sc12126(34)1491527(21)3528(38)20413236302513541022(25)1933(166371733)29(30)31(39)37(32)231181224(1823)402h4581518H36716171920H212H3(H3538)
MFCD04015692
N(3chloro2methylphenyl)2((3(3methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
N(3chloro2methylphenyl)2((3(3methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamide
N(3CHLORO2METHYLPHENYL)2(3(3METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000001900537
ZINC01900537
ZINC1900537
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