Vitas-M small molecule compound
ethyl (2E)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK832535
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C\c1cccs1)/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)13-6-4-7-14(10-13)24(27)28)19(25)16(31-21)11-15-8-5-9-30-15/h4-11,18H,3H2,1-2H3/b16-11+InChIKey
LYJBOMFOGNLQKC-LFIBNONCSA-NSynonyms
324073-95-2(E)ethyl7methyl5(3nitrophenyl)3oxo2(thiophen2ylmethylene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
324073952
CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)(N+)(=O)(O))c(=O)c(=Cc1cccs1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C(=CC4=CC=CS4)S2)C
ethyl(2E)7methyl5(3nitrophenyl)3oxo2(thiophen2ylmethylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)7methyl5(3nitrophenyl)3oxo2(thiophen2ylmethylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC21H17N3O5S2c132920(26)1712(2)222123(18(17)1364714(1013)24(27)28)19(25)16(3121)11158593015h41118H3H212H3b1611+
MFCD01949420
ZINC000009302169
ZINC000013773965
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