Vitas-M small molecule compound
propan-2-yl (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
STK797842
SMILES CC(OC(=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 C22H19N3O5S2 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5S2/c1-12(2)30-21(27)18-13(3)23-22-24(19(18)16-8-5-9-31-16)20(26)17(32-22)11-14-6-4-7-15(10-14)25(28)29/h4-12,19H,1-3H3/b17-11+InChIKey
QZBOEGDMEDPLPS-GZTJUZNOSA-NSynonyms
CC(OC(=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)OC(C)C
InChI=1SC22H19N3O5S2c112(2)3021(27)1813(3)232224(19(18)168593116)20(26)17(3222)111464715(1014)25(28)29h41219H13H3b1711+
MFCD03417205
propan2yl(2E)7methyl2((3nitrophenyl)methylidene)3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
propan2yl(2E)7methyl2(3nitrobenzylidene)3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000016699993
ZINC000016699995
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