Vitas-M small molecule compound
2-(phenylsulfanyl)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK368854
SMILES O=C1NC(=C(C(N1)c1cc2OCOc2cc1Br)C(=O)OCCSc1ccccc1)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 C21H19BrN2O5S MW 491.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O5S/c1-12-18(20(25)27-7-8-30-13-5-3-2-4-6-13)19(24-21(26)23-12)14-9-16-17(10-15(14)22)29-11-28-16/h2-6,9-10,19H,7-8,11H2,1H3,(H2,23,24,26)InChIKey
MBULUALDZXHYBV-UHFFFAOYSA-NSynonyms
2(phenylsulfanyl)ethyl4(6bromo13benzodioxol5yl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
2PHENYLSULFANYLETHYL4(6BROMO13BENZODIOXOL5YL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2PHENYLTHIOETHYL6(6BROMO(2HBENZO(D)13DIOXOLEN5YL))4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCSC4=CC=CC=C4
InChI=1SC21H19BrN2O5Sc11218(20(25)277830135324613)19(2421(26)2312)1491617(1015(14)22)29112816h2691019H7811H21H3(H2232426)
MFCD00339512
ZINC000004017113
ZINC000004017114
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