Vitas-M small molecule compound

methyl 2-{[(1-oxo-3-phenyl-3,4-dihydro-1H-isochromen-6-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STL112012
SMILES COC(=O)c1c(NC(=O)c2ccc3c(c2)CC(OC3=O)c2ccccc2)sc2c1CCC2

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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 C25H21NO5S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO5S/c1-30-25(29)21-18-8-5-9-20(18)32-23(21)26-22(27)15-10-11-17-16(12-15)13-19(31-24(17)28)14-6-3-2-4-7-14/h2-4,6-7,10-12,19H,5,8-9,13H2,1H3,(H,26,27)
InChIKey
HSVXVBHRMDAERO-UHFFFAOYSA-N
Synonyms
853890-45-6
853890456
COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5
InChI=1SC25H21NO5Sc13025(29)211885920(18)3223(21)2622(27)1510111716(1215)1319(3124(17)28)146324714h2467101219H58913H21H3(H2627)
methyl2(((1oxo3phenyl34dihydro1Hisochromen6yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((1OXO3PHENYL34DIHYDROISOCHROMENE6CARBONYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2((1OXO3PHENYLISOCHROMAN6YL)CARBONYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
METHYL2(1OXO3PHENYLISOCHROMAN6CARBOXAMIDO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD06438635
ZINC000008951745
ZINC000008951746

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Available files

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