Vitas-M small molecule compound

diethyl 5-({(2Z)-3-[3-(3,5-dinitrophenoxy)phenyl]prop-2-enoyl}amino)-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK537121
SMILES CCOC(=O)c1c(NC(=O)/C=C\c2cccc(c2)Oc2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])sc(c1C)C(=O)OCC

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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 C26H23N3O10S MW 569.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O10S/c1-4-37-25(31)22-15(3)23(26(32)38-5-2)40-24(22)27-21(30)10-9-16-7-6-8-19(11-16)39-20-13-17(28(33)34)12-18(14-20)29(35)36/h6-14H,4-5H2,1-3H3,(H,27,30)/b10-9-
InChIKey
RYKWHWPARBRCGI-KTKRTIGZSA-N
Synonyms

(Z)diethyl5(3(3(35dinitrophenoxy)phenyl)acrylamido)3methylthiophene24dicarboxylate
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C=CC2=CC(=CC=C2)OC3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)C=Cc2cccc(c2)Oc2cc(cc(c2)(N+)(=O)(O))(N+)(=O)(O))sc(c1C)C(=O)OCC
diethyl5(((2Z)3(3(35dinitrophenoxy)phenyl)prop2enoyl)amino)3methylthiophene24dicarboxylate
diethyl5(((Z)3(3(35dinitrophenoxy)phenyl)prop2enoyl)amino)3methylthiophene24dicarboxylate
InChI=1SC26H23N3O10Sc143725(31)2215(3)23(26(32)3852)4024(22)2721(30)1091676819(1116)39201317(28(33)34)1218(1420)29(35)36h614H45H213H3(H2730)b109
MFCD02986475
ZINC000102420196
ZINC102420196

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Available files

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