Vitas-M small molecule compound

6-ethyl-4-oxo-N-{3-[(pyridin-3-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-4H-chromene-2-carboxamide

Catalog ID
STK913258
SMILES CCc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2

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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 C27H25N3O4S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S/c1-2-16-9-10-21-19(12-16)20(31)13-22(34-21)25(32)30-27-24(18-7-3-4-8-23(18)35-27)26(33)29-15-17-6-5-11-28-14-17/h5-6,9-14H,2-4,7-8,15H2,1H3,(H,29,33)(H,30,32)
InChIKey
WRMIGRQAIKBONC-UHFFFAOYSA-N
Synonyms

6ethyl4oxoN(3((pyridin3ylmethyl)carbamoyl)4567tetrahydro1benzothiophen2yl)4Hchromene2carboxamide
6ethyl4oxoN(3(pyridin3ylmethylcarbamoyl)4567tetrahydro1benzothiophen2yl)chromene2carboxamide
CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CN=CC=C5
InChI=1SC27H25N3O4Sc12169102119(1216)20(31)1322(3421)25(32)302724(18734823(18)3527)26(33)2915176511281417h56914H247815H21H3(H2933)(H3032)
MFCD07428212
ZINC000008846291
ZINC08846291
ZINC8846291

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Available files

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