Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK910096
SMILES CCCSc1ncc(c(n1)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C)Cl
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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 C22H28ClN3O3S2 MW 482.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28ClN3O3S2/c1-4-10-30-22-24-12-19(23)20(25-22)21(27)26(18-9-11-31(28,29)14-18)13-16-5-7-17(8-6-16)15(2)3/h5-8,12,15,18H,4,9-11,13-14H2,1-3H3InChIKey
NDZCBIJBQOVBLT-UHFFFAOYSA-NSynonyms
880794-21-85chloroN(11dioxidotetrahydrothiophen3yl)N(4(propan2yl)benzyl)2(propylsulfanyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)N((4propan2ylphenyl)methyl)2propylsulfanylpyrimidine4carboxamide
880794218
CCCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)C(C)C)C3CCS(=O)(=O)C3)Cl
InChI=1SC22H28ClN3O3S2c14103022241219(23)20(2522)21(27)26(1891131(2829)1418)13165717(8616)15(2)3h58121518H49111314H213H3
MFCD06649203
ZINC000008868529
ZINC000008868532
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