Vitas-M small molecule compound
prop-2-en-1-yl 4-[3-methoxy-4-(3-methylbutoxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK704017
SMILES C=CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(c(c1)OC)OCCC(C)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 C21H28N2O4S MW 404.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O4S/c1-6-10-27-20(24)18-14(4)22-21(28)23-19(18)15-7-8-16(17(12-15)25-5)26-11-9-13(2)3/h6-8,12-13,19H,1,9-11H2,2-5H3,(H2,22,23,28)InChIKey
VZHVQDKVVYQYGA-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCCC(C)C)OC)C(=O)OCC=C
InChI=1SC21H28N2O4Sc16102720(24)1814(4)2221(28)2319(18)157816(17(1215)255)2611913(2)3h68121319H1911H225H3(H2222328)
MFCD04446348
prop2en1yl4(3methoxy4(3methylbutoxy)phenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
PROP2ENYL4(3METHOXY4(3METHYLBUTOXY)PHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ZINC000006307949
ZINC000006308028
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