Vitas-M small molecule compound
2-chloro-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate
Catalog ID
STK058923
SMILES CCOc1cc(cc(c1OC(=O)c1ccc(cc1)[N+](=O)[O-])Cl)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 C20H19ClN2O6S MW 450.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O6S/c1-2-28-17-12-14(19(30)22-7-9-27-10-8-22)11-16(21)18(17)29-20(24)13-3-5-15(6-4-13)23(25)26/h3-6,11-12H,2,7-10H2,1H3InChIKey
YNCZMZDVVDIUHG-UHFFFAOYSA-NSynonyms
(2CHLORO6ETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)4NITROBENZOATE
2CHLORO6ETHOXY4(MORPHOLIN4YLCARBONOTHIOYL)PHENYL4NITROBENZOATE
CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Cl)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCOc1cc(cc(c1OC(=O)c1ccc(cc1)(N+)(=O)(O))Cl)C(=S)N1CCOCC1
InChI=1SC20H19ClN2O6Sc1228171214(19(30)22792710822)1116(21)18(17)2920(24)133515(6413)23(25)26h361112H2710H21H3
MFCD08051452
STK058923
ZINC000009553367
ZINC09553367
ZINC9553367
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