Vitas-M small molecule compound

2-amino-4-{4-[(2-chlorophenoxy)methyl]-5-ethylthiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Catalog ID
STK956236
SMILES N#CC1=C(N)OC2=C(C1c1sc(c(c1)COc1ccccc1Cl)CC)C(=O)CC(C2)(C)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 C25H25ClN2O3S MW 469.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN2O3S/c1-4-20-14(13-30-18-8-6-5-7-16(18)26)9-21(32-20)22-15(12-27)24(28)31-19-11-25(2,3)10-17(29)23(19)22/h5-9,22H,4,10-11,13,28H2,1-3H3
InChIKey
FAUIEJGBMQIJQZ-UHFFFAOYSA-N
Synonyms
438224-49-8
2amino4(4((2chlorophenoxy)methyl)5ethylthiophen2yl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(4((2CHLOROPHENOXY)METHYL)5ETHYLTHIOPHEN2YL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
438224498
CCC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)COC4=CC=CC=C4Cl
InChI=1SC25H25ClN2O3Sc142014(133018865716(18)26)921(3220)2215(1227)24(28)31191125(23)1017(29)23(19)22h5922H410111328H213H3
MFCD03074832
ZINC000000651072
ZINC000000651074

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Available files

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