Vitas-M small molecule compound
N-[4-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
Catalog ID
STK259358
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc(c(c1)OC)NC(=O)c1cc2c(o1)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 C26H22N4O7S MW 534.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O7S/c1-3-36-21-11-8-16(12-19(21)30(33)34)24(31)29-26(38)27-17-9-10-18(22(14-17)35-2)28-25(32)23-13-15-6-4-5-7-20(15)37-23/h4-14H,3H2,1-2H3,(H,28,32)(H2,27,29,31,38)InChIKey
SHQCJFCNVWCGFB-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc(c(c1)OC)NC(=O)c1cc2c(o1)cccc2
InChI=1SC26H22N4O7Sc13362111816(1219(21)30(33)34)24(31)2926(38)271791018(22(1417)352)2825(32)231315645720(15)3723h414H3H212H3(H2832)(H227293138)
MFCD02820711
N(4((((4ethoxy3nitrophenyl)carbonyl)carbamothioyl)amino)2methoxyphenyl)1benzofuran2carboxamide
N(4((4ETHOXY3NITROBENZOYL)CARBAMOTHIOYLAMINO)2METHOXYPHENYL)1BENZOFURAN2CARBOXAMIDE
ZINC000004089579
ZINC4089579
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