Vitas-M small molecule compound

methyl 6-methyl-2-{[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL331499
SMILES COC(=O)c1c(NC(=O)CCN2C(=O)c3c(C2=O)cccc3[N+](=O)[O-])sc2c1CCC(C2)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 C22H21N3O7S MW 471.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O7S/c1-11-6-7-12-15(10-11)33-19(18(12)22(29)32-2)23-16(26)8-9-24-20(27)13-4-3-5-14(25(30)31)17(13)21(24)28/h3-5,11H,6-10H2,1-2H3,(H,23,26)
InChIKey
XPZOHDAQKRUFMC-UHFFFAOYSA-N
Synonyms
302577-33-9
302577339
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)(N+)(=O)(O)
COC(=O)c1c(NC(=O)CCN2C(=O)c3c(C2=O)cccc3(N+)(=O)(O))sc2c1CCC(C2)C
InChI=1SC22H21N3O7Sc111671215(1011)3319(18(12)22(29)322)2316(26)892420(27)1343514(25(30)31)17(13)21(24)28h3511H610H212H3(H2326)
methyl6methyl2((3(4nitro13dioxo13dihydro2Hisoindol2yl)propanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6methyl2(3(4nitro13dioxoisoindol2yl)propanoylamino)4567tetrahydro1benzothiophene3carboxylate
methyl6methyl2(3(4nitro13dioxoisoindolin2yl)propanamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD02331724
ZINC000001808618
ZINC000001808620

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Available files

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