Vitas-M small molecule compound
ethyl 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK776065
SMILES CCOC(=O)C1=C(CSc2nc3c(s2)cccc3)NC(=O)NC1c1cccc(c1)[N+](=O)[O-]
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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 C21H18N4O5S2 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O5S2/c1-2-30-19(26)17-15(11-31-21-23-14-8-3-4-9-16(14)32-21)22-20(27)24-18(17)12-6-5-7-13(10-12)25(28)29/h3-10,18H,2,11H2,1H3,(H2,22,24,27)InChIKey
PCKPBDOSSWCUBA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CSc2nc3c(s2)cccc3)NC(=O)NC1c1cccc(c1)(N+)(=O)(O)
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)(N+)(=O)(O))CSC3=NC4=CC=CC=C4S3
ethyl6((13benzothiazol2ylsulfanyl)methyl)4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL6(13BENZOTHIAZOL2YLSULFANYLMETHYL)4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC21H18N4O5S2c123019(26)1715(1131212314834916(14)3221)2220(27)2418(17)1265713(1012)25(28)29h31018H211H21H3(H2222427)
MFCD05258461
ZINC000008666798
ZINC000008682844
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