Vitas-M small molecule compound
2-(benzylsulfanyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)pyrimidine-4-carboxamide
Catalog ID
STK909209
SMILES CCc1ccc(cc1)CN(C(=O)c1nc(ncc1Cl)SCc1ccccc1)C1CCS(=O)(=O)C1
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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 C25H26ClN3O3S2 MW 516.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClN3O3S2/c1-2-18-8-10-19(11-9-18)15-29(21-12-13-34(31,32)17-21)24(30)23-22(26)14-27-25(28-23)33-16-20-6-4-3-5-7-20/h3-11,14,21H,2,12-13,15-17H2,1H3InChIKey
ALVKBPLFHYNIFN-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)5chloroN(11dioxidotetrahydrothiophen3yl)N(4ethylbenzyl)pyrimidine4carboxamide
2BENZYLSULFANYL5CHLORON(11DIOXOTHIOLAN3YL)N((4ETHYLPHENYL)METHYL)PYRIMIDINE4CARBOXAMIDE
CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4
InChI=1SC25H26ClN3O3S2c121881019(11918)1529(21121334(3132)1721)24(30)2322(26)142725(2823)3316206435720h3111421H212131517H21H3
MFCD06632907
ZINC000016474828
ZINC000016474831
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