Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK912137
SMILES CC(Sc1ncc(c(n1)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)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 C20H24ClN3O3S2 MW 454.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24ClN3O3S2/c1-13(2)28-20-22-10-17(21)18(23-20)19(25)24(16-8-9-29(26,27)12-16)11-15-6-4-14(3)5-7-15/h4-7,10,13,16H,8-9,11-12H2,1-3H3InChIKey
QUSSBLXAOVHFAP-UHFFFAOYSA-NSynonyms
874192-09-35chloroN(11dioxidotetrahydrothiophen3yl)N(4methylbenzyl)2(propan2ylsulfanyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)N((4methylphenyl)methyl)2propan2ylsulfanylpyrimidine4carboxamide
874192093
CC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)SC(C)C
InChI=1SC20H24ClN3O3S2c113(2)2820221017(21)18(2320)19(25)24(168929(2627)1216)11156414(3)5715h47101316H891112H213H3
MFCD07427056
ZINC000008916754
ZINC000008916756
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