Vitas-M small molecule compound
N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-4-ethoxy-3-nitrobenzamide
Catalog ID
STL378473
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cccc(c1C)c1oc2c(n1)cc(c(c2)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 C26H24N4O5S MW 504.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O5S/c1-5-34-22-10-9-17(13-21(22)30(32)33)24(31)29-26(36)28-19-8-6-7-18(16(19)4)25-27-20-11-14(2)15(3)12-23(20)35-25/h6-13H,5H2,1-4H3,(H2,28,29,31,36)InChIKey
WKOWIBKGTSOJKT-UHFFFAOYSA-NSynonyms
590397-27-6590397276
BENZAMIDEN(((3(56DIMETHYL2BENZOXAZOLYL)2METHYLPHENYL)AMINO)THIOXOMETHYL)4ETHOXY3NITRO
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=C(C(=C4)C)C)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cccc(c1C)c1oc2c(n1)cc(c(c2)C)C
InChI=1SC26H24N4O5Sc15342210917(1321(22)30(32)33)24(31)2926(36)281986718(16(19)4)2527201114(2)15(3)1223(20)3525h613H5H214H3(H228293136)
MFCD04083049
N((3(56dimethyl13benzoxazol2yl)2methylphenyl)carbamothioyl)4ethoxy3nitrobenzamide
ZINC000003770817
ZINC3770817
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