Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}prop-2-enoyl]amino}-5-propylthiophene-3-carboxylate
Catalog ID
STK472825
SMILES CCCc1cc(c(s1)NC(=O)/C(=C/c1ccc(c(c1)COc1ccccc1[N+](=O)[O-])OC)/C#N)C(=O)OC
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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 C27H25N3O7S MW 535.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O7S/c1-4-7-20-14-21(27(32)36-3)26(38-20)29-25(31)18(15-28)12-17-10-11-23(35-2)19(13-17)16-37-24-9-6-5-8-22(24)30(33)34/h5-6,8-14H,4,7,16H2,1-3H3,(H,29,31)/b18-12+InChIKey
KASMBQCEKKRXQL-LDADJPATSA-NSynonyms
CCCC1=CC(=C(S1)NC(=O)C(=CC2=CC(=C(C=C2)OC)COC3=CC=CC=C3(N+)(=O)(O))C#N)C(=O)OC
CCCc1cc(c(s1)NC(=O)C(=Cc1ccc(c(c1)COc1ccccc1(N+)(=O)(O))OC)C#N)C(=O)OC
InChI=1SC27H25N3O7Sc147201421(27(32)363)26(3820)2925(31)18(1528)1217101123(352)19(1317)163724965822(24)30(33)34h56814H4716H213H3(H2931)b1812+
methyl2(((2E)2cyano3(4methoxy3((2nitrophenoxy)methyl)phenyl)prop2enoyl)amino)5propylthiophene3carboxylate
methyl2(((E)2cyano3(4methoxy3((2nitrophenoxy)methyl)phenyl)prop2enoyl)amino)5propylthiophene3carboxylate
METHYL2((2E)2CYANO3(4METHOXY3((2NITROPHENOXY)METHYL)PHENYL)PROP2ENOYLAMINO)5PROPYLTHIOPHENE3CARBOXYLATE
MFCD07076464
ZINC000102347932
ZINC102347932
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