Vitas-M small molecule compound
2,6-dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate
Catalog ID
STK001571
SMILES COc1cc(cc(c1OC(=O)c1ccc(cc1[N+](=O)[O-])Cl)OC)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 C20H19ClN2O7S MW 466.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O7S/c1-27-16-9-12(19(31)22-5-7-29-8-6-22)10-17(28-2)18(16)30-20(24)14-4-3-13(21)11-15(14)23(25)26/h3-4,9-11H,5-8H2,1-2H3InChIKey
VLBZMIGWIIBHFM-UHFFFAOYSA-NSynonyms
(26DIMETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)4CHLORO2NITROBENZOATE
26DIMETHOXY4(MORPHOLIN4YLCARBONOTHIOYL)PHENYL4CHLORO2NITROBENZOATE
26DIMETHOXY4(MORPHOLIN4YLCARBOTHIOYL)PHENYL4CHLORO2NITROBENZOATE
COC1=CC(=CC(=C1OC(=O)C2=C(C=C(C=C2)Cl)(N+)(=O)(O))OC)C(=S)N3CCOCC3
COc1cc(cc(c1OC(=O)c1ccc(cc1(N+)(=O)(O))Cl)OC)C(=S)N1CCOCC1
InChI=1SC20H19ClN2O7Sc12716912(19(31)2257298622)1017(282)18(16)3020(24)144313(21)1115(14)23(25)26h34911H58H212H3
MFCD03711918
STK001571
ZINC000001163098
ZINC01163098
ZINC1163098
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