Vitas-M small molecule compound
propan-2-yl 6-(3-bromo-5-methoxy-4-propoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Catalog ID
STK100747
SMILES CCCOc1c(Br)cc(cc1OC)C1NC(=NC(=C1C(=O)OC(C)C)C)S
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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 C19H25BrN2O4S MW 457.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25BrN2O4S/c1-6-7-25-17-13(20)8-12(9-14(17)24-5)16-15(18(23)26-10(2)3)11(4)21-19(27)22-16/h8-10,16H,6-7H2,1-5H3,(H2,21,22,27)InChIKey
SNFZGBUWMRHAIU-UHFFFAOYSA-NSynonyms
CCCOC1=C(C=C(C=C1Br)C2C(=C(NC(=S)N2)C)C(=O)OC(C)C)OC
InChI=1SC19H25BrN2O4Sc167251713(20)812(914(17)245)1615(18(23)2610(2)3)11(4)2119(27)2216h81016H67H215H3(H2212227)
ISOPROPYL6(3BROMO5METHOXY4PROPOXYPHENYL)4METHYL2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
MFCD03700163
PROPAN2YL4(3BROMO5METHOXY4PROPOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
PROPAN2YL6(3BROMO5METHOXY4PROPOXYPHENYL)4METHYL2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
ZINC000002184092
ZINC000002184093
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