Vitas-M small molecule compound
benzyl 6-{[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826893
SMILES N#CC1=C(SCCCC(=O)c2ccc(cc2)C(C)(C)C)NC(=C(C1c1ccccc1Cl)C(=O)OCc1ccccc1)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 C35H35ClN2O3S MW 599.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35ClN2O3S/c1-23-31(34(40)41-22-24-11-6-5-7-12-24)32(27-13-8-9-14-29(27)36)28(21-37)33(38-23)42-20-10-15-30(39)25-16-18-26(19-17-25)35(2,3)4/h5-9,11-14,16-19,32,38H,10,15,20,22H2,1-4H3InChIKey
JHZYIVVSLNGWQD-UHFFFAOYSA-NSynonyms
benzyl6((4(4tertbutylphenyl)4oxobutyl)sulfanyl)4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
benzyl6(4(4tertbutylphenyl)4oxobutyl)sulfanyl4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCCCC(=O)C2=CC=C(C=C2)C(C)(C)C)C#N)C3=CC=CC=C3Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC35H35ClN2O3Sc12331(34(40)412224116571224)32(2713891429(27)36)28(2137)33(3823)4220101530(39)25161826(191725)35(23)4h59111416193238H10152022H214H3
MFCD10086853
ZINC000102808932
ZINC000102808934
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