Vitas-M small molecule compound
2-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 3-nitrobenzoate
Catalog ID
STK065232
SMILES CCOc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])C(=S)N1CCOCC1
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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 C20H20N2O6S MW 416.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O6S/c1-2-27-18-13-14(19(29)21-8-10-26-11-9-21)6-7-17(18)28-20(23)15-4-3-5-16(12-15)22(24)25/h3-7,12-13H,2,8-11H2,1H3InChIKey
VCAXIVAIXAHHOG-UHFFFAOYSA-NSynonyms
(2ETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)3NITROBENZOATE
2ETHOXY4(MORPHOLIN4YLCARBONOTHIOYL)PHENYL3NITROBENZOATE
2ETHOXY4(MORPHOLIN4YLTHIOXOMETHYL)PHENYL3NITROBENZOATE
3NITROBENZOICACID2ETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C(=S)N1CCOCC1
InChI=1SC20H20N2O6Sc1227181314(19(29)218102611921)6717(18)2820(23)1543516(1215)22(24)25h371213H2811H21H3
MFCD01062383
STK065232
ZINC000000866292
ZINC00866292
ZINC866292
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