Vitas-M small molecule compound
ethyl 6-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK776069
SMILES CCOC(=O)C1=C(CSc2nc3c([nH]2)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 C21H19N5O5S MW 453.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O5S/c1-2-31-19(27)17-16(11-32-21-23-14-8-3-4-9-15(14)24-21)22-20(28)25-18(17)12-6-5-7-13(10-12)26(29)30/h3-10,18H,2,11H2,1H3,(H,23,24)(H2,22,25,28)InChIKey
NHRKTOMYMLWPDX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CSc2nc3c((nH)2)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=C4N3
ethyl6((1Hbenzimidazol2ylsulfanyl)methyl)4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL6(1HBENZIMIDAZOL2YLSULFANYLMETHYL)4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC21H19N5O5Sc123119(27)1716(1132212314834915(14)2421)2220(28)2518(17)1265713(1012)26(29)30h31018H211H21H3(H2324)(H2222528)
MFCD05258465
ZINC000012412648
ZINC000012412649
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