Vitas-M small molecule compound
methyl 2-({[3-(hydroxymethyl)piperidin-1-yl]carbonothioyl}amino)-4,5-dimethoxybenzoate
Catalog ID
STK868373
SMILES OCC1CCCN(C1)C(=S)Nc1cc(OC)c(cc1C(=O)OC)OC
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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 C17H24N2O5S MW 368.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24N2O5S/c1-22-14-7-12(16(21)24-3)13(8-15(14)23-2)18-17(25)19-6-4-5-11(9-19)10-20/h7-8,11,20H,4-6,9-10H2,1-3H3,(H,18,25)InChIKey
XADIIMCGYVVROI-UHFFFAOYSA-NSynonyms
831233-34-2831233342
COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCCC(C2)CO)OC
InChI=1SC17H24N2O5Sc12214712(16(21)243)13(815(14)232)1817(25)1964511(919)1020h781120H46910H213H3(H1825)
METHYL2(((3(HYDROXYMETHYL)1PIPERIDINYL)CARBONOTHIOYL)AMINO)45DIMETHOXYBENZOATE
methyl2(((3(hydroxymethyl)piperidin1yl)carbonothioyl)amino)45dimethoxybenzoate
METHYL2((3(HYDROXYMETHYL)PIPERIDINE1CARBOTHIOYL)AMINO)45DIMETHOXYBENZOATE
methyl2(3(hydroxymethyl)piperidine1carbothioamido)45dimethoxybenzoate
MFCD06006469
ZINC000008671526
ZINC000013468982
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