Vitas-M small molecule compound
2-methoxy-4-{(E)-[3-methyl-5-oxo-1-(1H-tetrazol-5-yl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Catalog ID
STK202637
SMILES COc1cc(ccc1OC(=O)c1cccs1)/C=C/1\C(=NN(C1=O)c1nnn[nH]1)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 C18H14N6O4S MW 410.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N6O4S/c1-10-12(16(25)24(21-10)18-19-22-23-20-18)8-11-5-6-13(14(9-11)27-2)28-17(26)15-4-3-7-29-15/h3-9H,1-2H3,(H,19,20,22,23)/b12-8+InChIKey
CVIWGEMYLDOXKW-XYOKQWHBSA-NSynonyms
(2METHOXY4((E)(3METHYL5OXO1(2HTETRAZOL5YL)PYRAZOL4YLIDENE)METHYL)PHENYL)THIOPHENE2CARBOXYLATE
2methoxy4((E)(3methyl5oxo1(1Htetrazol5yl)15dihydro4Hpyrazol4ylidene)methyl)phenylthiophene2carboxylate
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC)C4=NNN=N4
COc1cc(ccc1OC(=O)c1cccs1)C=C1C(=NN(C1=O)c1nnn(nH)1)C
InChI=1SC18H14N6O4Sc11012(16(25)24(2110)181922232018)8115613(14(911)272)2817(26)154372915h39H12H3(H19202223)b128+
MFCD04218766
ZINC000101081529
ZINC101081529
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