Vitas-M small molecule compound
methyl 4-(2,5-dichlorobenzyl)-2-methyl-5-(morpholin-4-ylcarbonothioyl)-1H-pyrrole-3-carboxylate
Catalog ID
STK948659
SMILES COC(=O)c1c(C)[nH]c(c1Cc1cc(Cl)ccc1Cl)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 C19H20Cl2N2O3S MW 427.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20Cl2N2O3S/c1-11-16(19(24)25-2)14(10-12-9-13(20)3-4-15(12)21)17(22-11)18(27)23-5-7-26-8-6-23/h3-4,9,22H,5-8,10H2,1-2H3InChIKey
IDBHCSDVLSUHAP-UHFFFAOYSA-NSynonyms
CC1=C(C(=C(N1)C(=S)N2CCOCC2)CC3=C(C=CC(=C3)Cl)Cl)C(=O)OC
COC(=O)c1c(C)(nH)c(c1Cc1cc(Cl)ccc1Cl)C(=S)N1CCOCC1
InChI=1SC19H20Cl2N2O3Sc11116(19(24)252)14(1012913(20)3415(12)21)17(2211)18(27)2357268623h34922H5810H212H3
METHYL4((25DICHLOROPHENYL)METHYL)2METHYL5(MORPHOLIN4YLTHIOXOMETHYL)PYRROLE3CARBOXYLATE
methyl4((25dichlorophenyl)methyl)2methyl5(morpholine4carbothioyl)1Hpyrrole3carboxylate
methyl4(25dichlorobenzyl)2methyl5(morpholin4ylcarbonothioyl)1Hpyrrole3carboxylate
MFCD12967560
ZINC000036635926
ZINC36635926
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