Vitas-M small molecule compound
methyl N-({5-chloro-2-[(4-methylbenzyl)sulfanyl]pyrimidin-4-yl}carbonyl)phenylalaninate
Catalog ID
STL218351
SMILES COC(=O)C(NC(=O)c1nc(ncc1Cl)SCc1ccc(cc1)C)Cc1ccccc1
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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 C23H22ClN3O3S MW 455.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O3S/c1-15-8-10-17(11-9-15)14-31-23-25-13-18(24)20(27-23)21(28)26-19(22(29)30-2)12-16-6-4-3-5-7-16/h3-11,13,19H,12,14H2,1-2H3,(H,26,28)InChIKey
ABBVYYBJUBLWIP-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)Cl
InChI=1SC23H22ClN3O3Sc11581017(11915)143123251318(24)20(2723)21(28)2619(22(29)302)12166435716h3111319H1214H212H3(H2628)
methyl2((5chloro2((4methylphenyl)methylsulfanyl)pyrimidine4carbonyl)amino)3phenylpropanoate
METHYL2((5CHLORO2((4METHYLPHENYL)METHYLTHIO)PYRIMIDIN4YL)CARBONYLAMINO)3PHENYLPROPANOATE
methylN((5chloro2((4methylbenzyl)sulfanyl)pyrimidin4yl)carbonyl)phenylalaninate
MFCD18081463
ZINC000041156357
ZINC000041156360
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