Vitas-M small molecule compound

methyl 4,5-dimethyl-2-{[(1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STK867561
SMILES COC(=O)c1c(NC(=O)C2OC(=O)c3c(C2)cccc3)sc(c1C)C

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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 C18H17NO5S MW 359.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO5S/c1-9-10(2)25-16(14(9)18(22)23-3)19-15(20)13-8-11-6-4-5-7-12(11)17(21)24-13/h4-7,13H,8H2,1-3H3,(H,19,20)
InChIKey
PAZMHPUEOGOOMI-UHFFFAOYSA-N
Synonyms
868154-25-0
868154250
CC1=C(SC(=C1C(=O)OC)NC(=O)C2CC3=CC=CC=C3C(=O)O2)C
InChI=1SC18H17NO5Sc1910(2)2516(14(9)18(22)233)1915(20)13811645712(11)17(21)2413h4713H8H213H3(H1920)
METHYL45DIMETHYL2((((3R)1OXO34DIHYDRO1HISOCHROMEN3YL)CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
methyl45dimethyl2(((1oxo34dihydro1Hisochromen3yl)carbonyl)amino)thiophene3carboxylate
METHYL45DIMETHYL2((1OXO34DIHYDROISOCHROMENE3CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL45DIMETHYL2((1OXOISOCHROMAN3YL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
METHYL45DIMETHYL2(1OXOISOCHROMAN3CARBOXAMIDO)THIOPHENE3CARBOXYLATE
MFCD05885069
ZINC000002708379
ZINC000002708382

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.