Vitas-M small molecule compound
2-methylpropyl (2E)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799080
SMILES CC(COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1cccc(c1)[N+](=O)[O-])/s2)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 C23H21N3O5S2 MW 483.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O5S2/c1-13(2)12-31-22(28)19-14(3)24-23-25(20(19)17-8-5-9-32-17)21(27)18(33-23)11-15-6-4-7-16(10-15)26(29)30/h4-11,13,20H,12H2,1-3H3/b18-11+InChIKey
KPFBDUZYVNBHOV-WOJGMQOQSA-NSynonyms
2methylpropyl(2E)7methyl2((3nitrophenyl)methylidene)3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
2methylpropyl(2E)7methyl2(3nitrobenzylidene)3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CC(COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1cccc(c1)(N+)(=O)(O))s2)C
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)(N+)(=O)(O))SC2=N1)C4=CC=CS4)C(=O)OCC(C)C
InChI=1SC23H21N3O5S2c113(2)123122(28)1914(3)242325(20(19)178593217)21(27)18(3323)111564716(1015)26(29)30h4111320H12H213H3b1811+
MFCD03418023
ZINC000016700697
ZINC000016700701
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