Vitas-M small molecule compound

ethyl 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

Catalog ID
STL175740
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1cc(CSc3ccc(cc3)Cl)c(cc1C)C)C(=O)CC(C2)(C)C

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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 C29H32ClNO4S MW 526.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO4S/c1-6-34-28(33)26-24(25-22(32)13-29(4,5)14-23(25)35-27(26)31)21-12-18(16(2)11-17(21)3)15-36-20-9-7-19(30)8-10-20/h7-12,24H,6,13-15,31H2,1-5H3
InChIKey
KXXOSOAKXOXGEL-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3C)C)CSC4=CC=C(C=C4)Cl)C(=O)CC(C2)(C)C)N
ethyl2amino4(5(((4chlorophenyl)sulfanyl)methyl)24dimethylphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
ETHYL2AMINO4(5((4CHLOROPHENYL)SULFANYLMETHYL)24DIMETHYLPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
InChI=1SC29H32ClNO4Sc163428(33)2624(2522(32)1329(45)1423(25)3527(26)31)211218(16(2)1117(21)3)1536209719(30)81020h71224H6131531H215H3
MFCD03074799
ZINC000002111879
ZINC000002111881

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Available files

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