Vitas-M small molecule compound
3,4-dimethylphenyl 5-chloro-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxylate
Catalog ID
STK912881
SMILES CC(Sc1ncc(c(n1)C(=O)Oc1ccc(c(c1)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 C16H17ClN2O2S MW 336.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN2O2S/c1-9(2)22-16-18-8-13(17)14(19-16)15(20)21-12-6-5-10(3)11(4)7-12/h5-9H,1-4H3InChIKey
ICBDAFRYZCQJRU-UHFFFAOYSA-NSynonyms
(34dimethylphenyl)5chloro2propan2ylsulfanylpyrimidine4carboxylate
34dimethylphenyl5chloro2(propan2ylsulfanyl)pyrimidine4carboxylate
CC1=C(C=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)SC(C)C)C
InChI=1SC16H17ClN2O2Sc19(2)221618813(17)14(1916)15(20)21126510(3)11(4)712h59H14H3
MFCD07427832
ZINC000006748070
ZINC06748070
ZINC6748070
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