Vitas-M small molecule compound

(2Z)-2-cyano-2-[3-(3,4-dimethylphenyl)-4-oxo-5-(2-propoxybenzyl)-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)ethanamide

Catalog ID
STK555320
SMILES CCCOc1ccccc1CC1S/C(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/N(C1=O)c1ccc(c(c1)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 C31H31N3O3S MW 525.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O3S/c1-5-16-37-27-9-7-6-8-23(27)18-28-30(36)34(25-15-12-21(3)22(4)17-25)31(38-28)26(19-32)29(35)33-24-13-10-20(2)11-14-24/h6-15,17,28H,5,16,18H2,1-4H3,(H,33,35)/b31-26-
InChIKey
UNEXMRLLOUIPOF-ZXPTYKNPSA-N
Synonyms
840516-04-3
(2Z)2CYANO2(3(34DIMETHYLPHENYL)4OXO5((2PROPOXYPHENYL)METHYL)13THIAZOLIDIN2YLIDENE)N(4METHYLPHENYL)ACETAMIDE
(2Z)2cyano2(3(34dimethylphenyl)4oxo5(2propoxybenzyl)13thiazolidin2ylidene)N(4methylphenyl)ethanamide
(Z)2cyano2(3(34dimethylphenyl)4oxo5(2propoxybenzyl)thiazolidin2ylidene)N(ptolyl)acetamide
840516043
CCCOC1=CC=CC=C1CC2C(=O)N(C(=C(C#N)C(=O)NC3=CC=C(C=C3)C)S2)C4=CC(=C(C=C4)C)C
CCCOc1ccccc1CC1SC(=C(C(=O)Nc2ccc(cc2)C)C#N)N(C1=O)c1ccc(c(c1)C)C
InChI=1SC31H31N3O3Sc15163727976823(27)182830(36)34(25151221(3)22(4)1725)31(3828)26(1932)29(35)3324131020(2)111424h6151728H51618H214H3(H3335)b3126
MFCD04010445
ZINC000009452677
ZINC000013510724

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Available files

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