Vitas-M small molecule compound
N-{[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-butoxybenzamide
Catalog ID
STK180499
SMILES CCCCOc1cccc(c1)C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1cccc2c1cccc2Br
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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 C29H24BrN3O3S MW 574.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24BrN3O3S/c1-2-3-15-35-20-8-4-7-18(16-20)27(34)33-29(37)31-19-13-14-26-25(17-19)32-28(36-26)23-11-5-10-22-21(23)9-6-12-24(22)30/h4-14,16-17H,2-3,15H2,1H3,(H2,31,33,34,37)InChIKey
XJRONMDLADDMHZ-UHFFFAOYSA-NSynonyms
CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Br
InChI=1SC29H24BrN3O3Sc12315352084718(1620)27(34)3329(37)311913142625(1719)3228(3626)23115102221(23)961224(22)30h4141617H2315H21H3(H231333437)
MFCD02914582
N((2(5BROMONAPHTHALEN1YL)13BENZOXAZOL5YL)CARBAMOTHIOYL)3BUTOXYBENZAMIDE
ZINC000004089883
ZINC4089883
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