Vitas-M small molecule compound
methyl 4-(3-methoxy-4-{2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethoxy}phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK381931
SMILES COC(=O)C1=C(C)NC(=O)NC1c1ccc(c(c1)OC)OCC(=O)N/N=C/c1cccs1
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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 C21H22N4O6S MW 458.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O6S/c1-12-18(20(27)30-3)19(24-21(28)23-12)13-6-7-15(16(9-13)29-2)31-11-17(26)25-22-10-14-5-4-8-32-14/h4-10,19H,11H2,1-3H3,(H,25,26)(H2,23,24,28)/b22-10+InChIKey
LVQYDVPORBIVOM-LSHDLFTRSA-NSynonyms
CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OCC(=O)NN=CC3=CC=CS3)OC)C(=O)OC
COC(=O)C1=C(C)NC(=O)NC1c1ccc(c(c1)OC)OCC(=O)NN=Cc1cccs1
InChI=1SC21H22N4O6Sc11218(20(27)303)19(2421(28)2312)136715(16(913)292)311117(26)252210145483214h41019H11H213H3(H2526)(H2232428)b2210+
methyl4(3methoxy4(2oxo2((2E)2(thiophen2ylmethylidene)hydrazinyl)ethoxy)phenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
methyl4(3methoxy4(2oxo2((2E)2(thiophen2ylmethylidene)hydrazinyl)ethoxy)phenyl)6methyl2oxo34dihydro1Hpyrimidine5carboxylate
MFCD03103671
ZINC000008722286
ZINC000008722287
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