Vitas-M small molecule compound
2-({4-[4-(benzyloxy)phenyl]-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
Catalog ID
STK580897
SMILES N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)N=C(CC1c1ccc(cc1)OCc1ccccc1)O
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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 C30H29N3O3S MW 511.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O3S/c1-19-13-20(2)29(21(3)14-19)32-28(35)18-37-30-26(16-31)25(15-27(34)33-30)23-9-11-24(12-10-23)36-17-22-7-5-4-6-8-22/h4-14,25H,15,17-18H2,1-3H3,(H,32,35)(H,33,34)InChIKey
BBPGDVJBMSUECM-UHFFFAOYSA-NSynonyms
489442-85-52((4(4(benzyloxy)phenyl)3cyano6hydroxy45dihydropyridin2yl)sulfanyl)N(246trimethylphenyl)acetamide
2((5CYANO2OXO4(4PHENYLMETHOXYPHENYL)34DIHYDRO1HPYRIDIN6YL)SULFANYL)N(246TRIMETHYLPHENYL)ACETAMIDE
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N)C
InChI=1SC30H29N3O3Sc1191320(2)29(21(3)1419)3228(35)18373026(1631)25(1527(34)3330)2391124(121023)3617227546822h41425H151718H213H3(H3235)(H3334)
MFCD07202571
ZINC000009110834
ZINC000009110835
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