Vitas-M small molecule compound
N-(4-tert-butylbenzyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK912141
SMILES CC(Sc1ncc(c(n1)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)(C)C)Cl)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 C23H30ClN3O3S2 MW 496.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30ClN3O3S2/c1-15(2)31-22-25-12-19(24)20(26-22)21(28)27(18-10-11-32(29,30)14-18)13-16-6-8-17(9-7-16)23(3,4)5/h6-9,12,15,18H,10-11,13-14H2,1-5H3InChIKey
OOFLVQUMGKBCDC-UHFFFAOYSA-NSynonyms
874192-13-9874192139
CC(C)SC1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)C(C)(C)C)C3CCS(=O)(=O)C3)Cl
InChI=1SC23H30ClN3O3S2c115(2)3122251219(24)20(2622)21(28)27(18101132(2930)1418)13166817(9716)23(34)5h69121518H10111314H215H3
MFCD07427060
N((4tertbutylphenyl)methyl)5chloroN(11dioxothiolan3yl)2propan2ylsulfanylpyrimidine4carboxamide
N(4tertbutylbenzyl)5chloroN(11dioxidotetrahydrothiophen3yl)2(propan2ylsulfanyl)pyrimidine4carboxamide
ZINC000008916765
ZINC000008916766
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