Vitas-M small molecule compound
4-tert-butyl 2-ethyl 3-methyl-5-[({5-[(2-nitrophenoxy)methyl]furan-2-yl}carbonyl)amino]thiophene-2,4-dicarboxylate
Catalog ID
STL168218
SMILES CCOC(=O)c1sc(c(c1C)C(=O)OC(C)(C)C)NC(=O)c1ccc(o1)COc1ccccc1[N+](=O)[O-]
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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 C25H26N2O9S MW 530.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O9S/c1-6-33-24(30)20-14(2)19(23(29)36-25(3,4)5)22(37-20)26-21(28)18-12-11-15(35-18)13-34-17-10-8-7-9-16(17)27(31)32/h7-12H,6,13H2,1-5H3,(H,26,28)InChIKey
QIYOADMQIONGDA-UHFFFAOYSA-NSynonyms
514217-69-74OTERTBUTYL2OETHYL3METHYL5((5((2NITROPHENOXY)METHYL)FURAN2CARBONYL)AMINO)THIOPHENE24DICARBOXYLATE
4tertbutyl2ethyl3methyl5(((5((2nitrophenoxy)methyl)furan2yl)carbonyl)amino)thiophene24dicarboxylate
4TERTBUTYL2ETHYL5((5((2NITROPHENOXY)METHYL)2FUROYL)AMINO)3METHYL24THIOPHENEDICARBOXYLATE
514217697
CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3(N+)(=O)(O))C(=O)OC(C)(C)C)C
CCOC(=O)c1sc(c(c1C)C(=O)OC(C)(C)C)NC(=O)c1ccc(o1)COc1ccccc1(N+)(=O)(O)
InChI=1SC25H26N2O9Sc163324(30)2014(2)19(23(29)3625(34)5)22(3720)2621(28)18121115(3518)1334171087916(17)27(31)32h712H613H215H3(H2628)
MFCD02053611
ZINC000008431732
ZINC08431732
ZINC8431732
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.