Vitas-M small molecule compound
ethyl 3-(3-nitrophenyl)-3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}propanoate
Catalog ID
STK779889
SMILES CCOC(=O)CC(c1cccc(c1)[N+](=O)[O-])NC(=O)Cn1c(=O)sc2c1cccc2
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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 C20H19N3O6S MW 429.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O6S/c1-2-29-19(25)11-15(13-6-5-7-14(10-13)23(27)28)21-18(24)12-22-16-8-3-4-9-17(16)30-20(22)26/h3-10,15H,2,11-12H2,1H3,(H,21,24)InChIKey
FHWDYRZZXLLACH-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(C1=CC(=CC=C1)(N+)(=O)(O))NC(=O)CN2C3=CC=CC=C3SC2=O
CCOC(=O)CC(c1cccc(c1)(N+)(=O)(O))NC(=O)Cn1c(=O)sc2c1cccc2
ethyl3(3nitrophenyl)3(((2oxo13benzothiazol3(2H)yl)acetyl)amino)propanoate
ETHYL3(3NITROPHENYL)3((2(2OXO13BENZOTHIAZOL3YL)ACETYL)AMINO)PROPANOATE
InChI=1SC20H19N3O6Sc122919(25)1115(1365714(1013)23(27)28)2118(24)122216834917(16)3020(22)26h31015H21112H21H3(H2124)
MFCD05859431
ZINC000012413200
ZINC000012413202
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