Vitas-M small molecule compound

2-[(3-nitrophenyl)amino]-2-oxoethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate

Catalog ID
STK997244
SMILES CCOC(=O)CSc1nnnn1c1ccc(cc1)C(=O)OCC(=O)Nc1cccc(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 C20H18N6O7S MW 486.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O7S/c1-2-32-18(28)12-34-20-22-23-24-25(20)15-8-6-13(7-9-15)19(29)33-11-17(27)21-14-4-3-5-16(10-14)26(30)31/h3-10H,2,11-12H2,1H3,(H,21,27)
InChIKey
MRXGYYIGNFGBNQ-UHFFFAOYSA-N
Synonyms
440113-28-0
(2(3NITROANILINO)2OXOETHYL)4(5(2ETHOXY2OXOETHYL)SULFANYLTETRAZOL1YL)BENZOATE
2((3nitrophenyl)amino)2oxoethyl4(5((2ethoxy2oxoethyl)sulfanyl)1Htetrazol1yl)benzoate
2((3nitrophenyl)amino)2oxoethyl4(5((2ethoxy2oxoethyl)thio)1Htetrazol1yl)benzoate
440113280
CCOC(=O)CSC1=NN=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)(N+)(=O)(O)
CCOC(=O)CSc1nnnn1c1ccc(cc1)C(=O)OCC(=O)Nc1cccc(c1)(N+)(=O)(O)
InChI=1SC20H18N6O7Sc123218(28)12342022232425(20)158613(7915)19(29)331117(27)211443516(1014)26(30)31h310H21112H21H3(H2127)
MFCD02934653
ZINC000009331887
ZINC09331887
ZINC9331887

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Available files

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