Vitas-M small molecule compound
2-ethoxy-6-iodo-4-(morpholin-4-ylcarbonothioyl)phenyl 2,4-dinitrobenzoate
Catalog ID
STK329762
SMILES CCOc1cc(cc(c1OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])I)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 C20H18IN3O8S MW 587.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18IN3O8S/c1-2-31-17-10-12(19(33)22-5-7-30-8-6-22)9-15(21)18(17)32-20(25)14-4-3-13(23(26)27)11-16(14)24(28)29/h3-4,9-11H,2,5-8H2,1H3InChIKey
VAJBYJDCCUJEEU-UHFFFAOYSA-NSynonyms
(2ETHOXY6IODO4(MORPHOLINE4CARBOTHIOYL)PHENYL)24DINITROBENZOATE
2ethoxy6iodo4(morpholin4ylcarbonothioyl)phenyl24dinitrobenzoate
CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)I)OC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
CCOc1cc(cc(c1OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))I)C(=S)N1CCOCC1
InChI=1SC20H18IN3O8Sc1231171012(19(33)2257308622)915(21)18(17)3220(25)144313(23(26)27)1116(14)24(28)29h34911H258H21H3
MFCD02301910
ZINC000102034115
ZINC102034115
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