Vitas-M small molecule compound

3-chloro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide

Catalog ID
STK031702
SMILES CC(c1ccc2c(c1)nc(o2)c1cccc(c1)NC(=O)c1sc2c(c1Cl)cccc2)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 C25H19ClN2O2S MW 446.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O2S/c1-14(2)15-10-11-20-19(13-15)28-25(30-20)16-6-5-7-17(12-16)27-24(29)23-22(26)18-8-3-4-9-21(18)31-23/h3-14H,1-2H3,(H,27,29)
InChIKey
YQNCANDYTKVWTR-UHFFFAOYSA-N
Synonyms
371125-96-1
371125961
3CHLORON(3(5(PROPAN2YL)13BENZOXAZOL2YL)PHENYL)1BENZOTHIOPHENE2CARBOXAMIDE
3chloroN(3(5isopropylbenzo(d)oxazol2yl)phenyl)benzo(b)thiophene2carboxamide
3CHLORON(3(5PROPAN2YL13BENZOXAZOL2YL)PHENYL)1BENZOTHIOPHENE2CARBOXAMIDE
CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl
CC(c1ccc2c(c1)nc(o2)c1cccc(c1)NC(=O)c1sc2c(c1Cl)cccc2)C
InChI=1SC25H19ClN2O2Sc114(2)1510112019(1315)2825(3020)1665717(1216)2724(29)2322(26)18834921(18)3123h314H12H3(H2729)
MFCD03007999
STK031702
ZINC000002314031
ZINC02314031
ZINC2314031

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.