Vitas-M small molecule compound
ethyl 6-({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK313709
SMILES CCOC(=O)C1=C(CSc2nnc(n2C)c2nn(c(c2)C)C)N(C(=O)NC1c1ccccc1)CC
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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 C24H29N7O3S MW 495.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N7O3S/c1-6-31-18(14-35-24-27-26-21(29(24)4)17-13-15(3)30(5)28-17)19(22(32)34-7-2)20(25-23(31)33)16-11-9-8-10-12-16/h8-13,20H,6-7,14H2,1-5H3,(H,25,33)InChIKey
MXWHZWKLIOEPOV-UHFFFAOYSA-NSynonyms
1005684-87-61005684876
CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CSC3=NN=C(N3C)C4=NN(C(=C4)C)C
ethyl4((5(15dimethylpyrazol3yl)4methyl124triazol3yl)sulfanylmethyl)3ethyl2oxo6phenyl16dihydropyrimidine5carboxylate
ethyl6(((5(15dimethyl1Hpyrazol3yl)4methyl4H124triazol3yl)sulfanyl)methyl)1ethyl2oxo4phenyl1234tetrahydropyrimidine5carboxylate
InChI=1SC24H29N7O3Sc163118(143524272621(29(24)4)171315(3)30(5)2817)19(22(32)3472)20(2523(31)33)161198101216h81320H6714H215H3(H2533)
MFCD05667375
ZINC000002732915
ZINC000002732916
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