Vitas-M small molecule compound

methyl 4,5-dimethyl-2-({[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]carbonyl}amino)thiophene-3-carboxylate

Catalog ID
STL181280
SMILES COC(=O)c1c(sc(c1C)C)NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)[N+](=O)[O-]

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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 C20H16N6O5S MW 452.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N6O5S/c1-10-11(2)32-18(16(10)19(28)31-3)24-17(27)15-8-14(23-20-21-9-22-25(15)20)12-5-4-6-13(7-12)26(29)30/h4-9H,1-3H3,(H,24,27)
InChIKey
IMUKLNAFKMSQBK-UHFFFAOYSA-N
Synonyms
1174879-65-2
1174879652
CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=NC3=NC=NN23)C4=CC(=CC=C4)(N+)(=O)(O))C
COC(=O)c1c(sc(c1C)C)NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC20H16N6O5Sc11011(2)3218(16(10)19(28)313)2417(27)15814(23202192225(15)20)1254613(712)26(29)30h49H13H3(H2427)
methyl45dimethyl2(((5(3nitrophenyl)(124)triazolo(15a)pyrimidin7yl)carbonyl)amino)thiophene3carboxylate
methyl45dimethyl2((5(3nitrophenyl)(124)triazolo(15a)pyrimidine7carbonyl)amino)thiophene3carboxylate
MFCD10701865
ZINC000036619416
ZINC36619416

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Available files

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