Vitas-M small molecule compound
ethyl (2Z)-7-methyl-2-(2-nitrobenzylidene)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798195
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1ccccc1[N+](=O)[O-])/s2
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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 C21H17N3O5S2 MW 455.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S2/c1-3-29-20(26)17-12(2)22-21-23(18(17)15-9-6-10-30-15)19(25)16(31-21)11-13-7-4-5-8-14(13)24(27)28/h4-11,18H,3H2,1-2H3/b16-11-InChIKey
CIMJLRDXBOIITI-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccccc1(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC=CC=C4(N+)(=O)(O))S2)C
ETHYL(2Z)7METHYL2((2NITROPHENYL)METHYLIDENE)3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)7methyl2(2nitrobenzylidene)3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC21H17N3O5S2c132920(26)1712(2)222123(18(17)1596103015)19(25)16(3121)1113745814(13)24(27)28h41118H3H212H3b1611
MFCD03213289
ZINC000002665756
ZINC000002665758
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