Vitas-M small molecule compound

2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(1,3-benzodioxol-5-ylmethyl)amino]-1,3-oxazole-4-carbonitrile

Catalog ID
STK874470
SMILES N#Cc1nc(oc1NCc1ccc2c(c1)OCO2)c1ccc(cc1)S(=O)(=O)N1CCCCCC1

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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 C24H24N4O5S MW 480.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O5S/c25-14-20-24(26-15-17-5-10-21-22(13-17)32-16-31-21)33-23(27-20)18-6-8-19(9-7-18)34(29,30)28-11-3-1-2-4-12-28/h5-10,13,26H,1-4,11-12,15-16H2
InChIKey
QMQOUVNFMOSVOX-UHFFFAOYSA-N
Synonyms
941247-49-0
2(4(AZAPERHYDROEPINYLSULFONYL)PHENYL)5((2HBENZO(34D)13DIOXOLEN5YLMETHYL)AMINO)13OXAZOLE4CARBONITRILE
2(4(azepan1ylsulfonyl)phenyl)5((13benzodioxol5ylmethyl)amino)13oxazole4carbonitrile
2(4(AZEPAN1YLSULFONYL)PHENYL)5((BENZO(D)(13)DIOXOL5YLMETHYL)AMINO)OXAZOLE4CARBONITRILE
2(4(azepan1ylsulfonyl)phenyl)5(13benzodioxol5ylmethylamino)13oxazole4carbonitrile
941247490
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC5=C(C=C4)OCO5)C#N
InChI=1SC24H24N4O5Sc25142024(2615175102122(1317)32163121)3323(2720)186819(9718)34(2930)281131241228h5101326H1411121516H2
MFCD09762389
ZINC000012421217
ZINC12421217

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Available files

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