Vitas-M small molecule compound

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

Catalog ID
STK026745
SMILES S=C(NC(=O)c1cc2c(o1)cccc2)Nc1cc(ccc1Cl)c1nc2c(o1)ccc(c2)C(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 C26H20ClN3O3S MW 489.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClN3O3S/c1-14(2)15-8-10-22-20(11-15)28-25(33-22)17-7-9-18(27)19(12-17)29-26(34)30-24(31)23-13-16-5-3-4-6-21(16)32-23/h3-14H,1-2H3,(H2,29,30,31,34)
InChIKey
QQNWLKLQHWFNJX-UHFFFAOYSA-N
Synonyms

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4
InChI=1SC26H20ClN3O3Sc114(2)158102220(1115)2825(3322)177918(27)19(1217)2926(34)3024(31)231316534621(16)3223h314H12H3(H229303134)
MFCD03142643
N((2CHLORO5(5(PROPAN2YL)13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)1BENZOFURAN2CARBOXAMIDE
N((2CHLORO5(5PROPAN2YL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)1BENZOFURAN2CARBOXAMIDE
S=C(NC(=O)c1cc2c(o1)cccc2)Nc1cc(ccc1Cl)c1nc2c(o1)ccc(c2)C(C)C
STK026745
ZINC000002986214
ZINC02986214
ZINC2986214

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Available files

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