Vitas-M small molecule compound

N-{[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-4-(propan-2-yloxy)benzamide

Catalog ID
STK024950
SMILES CCc1ccc2c(c1)nc(o2)c1ccc(c(c1)NC(=S)NC(=O)c1ccc(cc1)OC(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 C27H27N3O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S/c1-5-18-7-13-24-23(14-18)28-26(33-24)20-8-6-17(4)22(15-20)29-27(34)30-25(31)19-9-11-21(12-10-19)32-16(2)3/h6-16H,5H2,1-4H3,(H2,29,30,31,34)
InChIKey
NFOQPSNBVXXUQB-UHFFFAOYSA-N
Synonyms

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC=C(C=C4)OC(C)C
CCc1ccc2c(c1)nc(o2)c1ccc(c(c1)NC(=S)NC(=O)c1ccc(cc1)OC(C)C)C
InChI=1SC27H27N3O3Sc15187132423(1418)2826(3324)208617(4)22(1520)2927(34)3025(31)1991121(121019)3216(2)3h616H5H214H3(H229303134)
MFCD02626989
N((5(5ETHYL13BENZOXAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)4(PROPAN2YLOXY)BENZAMIDE
N((5(5ETHYL13BENZOXAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)4PROPAN2YLOXYBENZAMIDE
STK024950
ZINC000002984930
ZINC02984930
ZINC2984930

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Available files

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