Vitas-M small molecule compound
4-methoxy-N-{[2-(naphthalen-2-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK057301
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1ccc2c(c1)cccc2
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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 C26H18N4O5S MW 498.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18N4O5S/c1-34-23-10-8-17(13-21(23)30(32)33)24(31)29-26(36)27-19-9-11-22-20(14-19)28-25(35-22)18-7-6-15-4-2-3-5-16(15)12-18/h2-14H,1H3,(H2,27,29,31,36)InChIKey
HJBGQYTYDLCIQK-UHFFFAOYSA-NSynonyms
4METHOXYN((2(NAPHTHALEN2YL)13BENZOXAZOL5YL)CARBAMOTHIOYL)3NITROBENZAMIDE
4METHOXYN((2NAPHTHALEN2YL13BENZOXAZOL5YL)CARBAMOTHIOYL)3NITROBENZAMIDE
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC5=CC=CC=C5C=C4)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1ccc2c(c1)cccc2
InChI=1SC26H18N4O5Sc1342310817(1321(23)30(32)33)24(31)2926(36)27199112220(1419)2825(3522)187615423516(15)1218h214H1H3(H227293136)
MFCD02625234
STK057301
ZINC000002979074
ZINC02979074
ZINC2979074
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