Vitas-M small molecule compound

2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide

Catalog ID
STK538597
SMILES N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC(=O)CC1c1ccc(c(c1)OC)OCc1ccccc1

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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 C31H31N3O4S MW 541.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O4S/c1-19-12-20(2)30(21(3)13-19)33-29(36)18-39-31-25(16-32)24(15-28(35)34-31)23-10-11-26(27(14-23)37-4)38-17-22-8-6-5-7-9-22/h5-14,24H,15,17-18H2,1-4H3,(H,33,36)(H,34,35)
InChIKey
NOLMYWVXZRHCCN-UHFFFAOYSA-N
Synonyms
370850-84-3
2((4(4(benzyloxy)3methoxyphenyl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)N(246trimethylphenyl)acetamide
2((4(4(benzyloxy)3methoxyphenyl)3cyano6oxo1456tetrahydropyridin2yl)thio)Nmesitylacetamide
2((5CYANO4(3METHOXY4PHENYLMETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)N(246TRIMETHYLPHENYL)ACETAMIDE
370850843
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C#N)C
InChI=1SC31H31N3O4Sc1191220(2)30(21(3)1319)3329(36)18393125(1632)24(1528(35)3431)23101126(27(1423)374)3817228657922h51424H151718H214H3(H3336)(H3435)
MFCD02999547
ZINC000001144879
ZINC000001144884

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Available files

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