Vitas-M small molecule compound
methyl 2-({[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]carbonyl}amino)-5-(propan-2-yl)thiophene-3-carboxylate
Catalog ID
STL181282
SMILES COC(=O)c1cc(sc1NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)[N+](=O)[O-])C(C)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 C21H18N6O5S MW 466.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O5S/c1-11(2)17-8-14(20(29)32-3)19(33-17)25-18(28)16-9-15(24-21-22-10-23-26(16)21)12-5-4-6-13(7-12)27(30)31/h4-11H,1-3H3,(H,25,28)InChIKey
CJWSPOVWGOEWFT-UHFFFAOYSA-NSynonyms
1174835-91-61174835916
CC(C)C1=CC(=C(S1)NC(=O)C2=CC(=NC3=NC=NN23)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(sc1NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)(N+)(=O)(O))C(C)C
InChI=1SC21H18N6O5Sc111(2)17814(20(29)323)19(3317)2518(28)16915(242122102326(16)21)1254613(712)27(30)31h411H13H3(H2528)
methyl2(((5(3nitrophenyl)(124)triazolo(15a)pyrimidin7yl)carbonyl)amino)5(propan2yl)thiophene3carboxylate
methyl2((5(3nitrophenyl)(124)triazolo(15a)pyrimidine7carbonyl)amino)5propan2ylthiophene3carboxylate
MFCD10701672
ZINC000036619175
ZINC36619175
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