Vitas-M small molecule compound

6-tert-butyl-N-(3-nitrophenyl)-2-[(pyrrolidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK383600
SMILES O=C(Nc1sc2c(c1C(=O)Nc1cccc(c1)[N+](=O)[O-])CCC(C2)C(C)(C)C)CN1CCCC1

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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 C25H32N4O4S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O4S/c1-25(2,3)16-9-10-19-20(13-16)34-24(27-21(30)15-28-11-4-5-12-28)22(19)23(31)26-17-7-6-8-18(14-17)29(32)33/h6-8,14,16H,4-5,9-13,15H2,1-3H3,(H,26,31)(H,27,30)
InChIKey
GDCXGKDJDKIXFS-UHFFFAOYSA-N
Synonyms

6tertbutylN(3nitrophenyl)2((2pyrrolidin1ylacetyl)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutylN(3nitrophenyl)2((pyrrolidin1ylacetyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC(=CC=C3)(N+)(=O)(O))NC(=O)CN4CCCC4
InChI=1SC25H32N4O4Sc125(23)169101920(1316)3424(2721(30)152811451228)22(19)23(31)261776818(1417)29(32)33h681416H4591315H213H3(H2631)(H2730)
MFCD03648760
O=C(Nc1sc2c(c1C(=O)Nc1cccc(c1)(N+)(=O)(O))CCC(C2)C(C)(C)C)CN1CCCC1
ZINC000015946702
ZINC000015946704

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Available files

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