Vitas-M small molecule compound

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

Catalog ID
STK174093
SMILES S=C(NC(=O)c1cccc2c1cccc2)Nc1cc(ccc1C)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 C29H25N3O2S MW 479.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O2S/c1-17(2)20-13-14-26-25(15-20)30-28(34-26)21-12-11-18(3)24(16-21)31-29(35)32-27(33)23-10-6-8-19-7-4-5-9-22(19)23/h4-17H,1-3H3,(H2,31,32,33,35)
InChIKey
WVRYPAATPHQEGM-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54
InChI=1SC29H25N3O2Sc117(2)2013142625(1520)3028(3426)21121118(3)24(1621)3129(35)3227(33)23106819745922(19)23h417H13H3(H231323335)
MFCD03270910
N((2METHYL5(5(PROPAN2YL)13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)NAPHTHALENE1CARBOXAMIDE
N((2METHYL5(5PROPAN2YL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)NAPHTHALENE1CARBOXAMIDE
N(5(5ISOPROPYL13BENZOXAZOL2YL)2METHYLPHENYL)N(1NAPHTHOYL)THIOUREA
ZINC000002145388
ZINC02145388
ZINC2145388

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Available files

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