Vitas-M small molecule compound
N-(4-tert-butylbenzyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK911125
SMILES CCCSc1ncc(c(n1)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(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 C23H30ClN3O3S2 MW 496.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30ClN3O3S2/c1-5-11-31-22-25-13-19(24)20(26-22)21(28)27(18-10-12-32(29,30)15-18)14-16-6-8-17(9-7-16)23(2,3)4/h6-9,13,18H,5,10-12,14-15H2,1-4H3InChIKey
ZPDPLIJDCWYRJP-UHFFFAOYSA-NSynonyms
CCCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)C(C)(C)C)C3CCS(=O)(=O)C3)Cl
InChI=1SC23H30ClN3O3S2c15113122251319(24)20(2622)21(28)27(18101232(2930)1518)14166817(9716)23(23)4h691318H510121415H214H3
MFCD07426039
N((4tertbutylphenyl)methyl)5chloroN(11dioxothiolan3yl)2propylsulfanylpyrimidine4carboxamide
N(4tertbutylbenzyl)5chloroN(11dioxidotetrahydrothiophen3yl)2(propylsulfanyl)pyrimidine4carboxamide
ZINC000008915205
ZINC000009431856
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