Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(methylsulfanyl)-N-[4-(propan-2-yl)benzyl]pyrimidine-4-carboxamide
Catalog ID
STK909360
SMILES CSc1ncc(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 C20H24ClN3O3S2 MW 454.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24ClN3O3S2/c1-13(2)15-6-4-14(5-7-15)11-24(16-8-9-29(26,27)12-16)19(25)18-17(21)10-22-20(23-18)28-3/h4-7,10,13,16H,8-9,11-12H2,1-3H3InChIKey
PSRNZNCHUDPNFG-UHFFFAOYSA-NSynonyms
880786-91-45chloroN(11dioxidotetrahydrothiophen3yl)2(methylsulfanyl)N(4(propan2yl)benzyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)2methylsulfanylN((4propan2ylphenyl)methyl)pyrimidine4carboxamide
880786914
CC(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)SC
InChI=1SC20H24ClN3O3S2c113(2)156414(5715)1124(168929(2627)1216)19(25)1817(21)102220(2318)283h47101316H891112H213H3
MFCD06648556
ZINC000008612042
ZINC000008612043
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