Vitas-M small molecule compound
4-(6-amino-5-cyano-3-propyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
Catalog ID
STK764914
SMILES CCOc1cc(cc(c1OC(=O)c1cccs1)[N+](=O)[O-])C1C(=C(N)Oc2c1c(CCC)n[nH]2)C#N
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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 C23H21N5O6S MW 495.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O6S/c1-3-6-14-19-18(13(11-24)21(25)34-22(19)27-26-14)12-9-15(28(30)31)20(16(10-12)32-4-2)33-23(29)17-7-5-8-35-17/h5,7-10,18H,3-4,6,25H2,1-2H3,(H,26,27)InChIKey
MWEXAJOEYYIVIR-UHFFFAOYSA-NSynonyms
(4(6AMINO5CYANO3PROPYL24DIHYDROPYRANO(23C)PYRAZOL4YL)2ETHOXY6NITROPHENYL)THIOPHENE2CARBOXYLATE
4(6amino5cyano3propyl14dihydropyrano(23c)pyrazol4yl)2ethoxy6nitrophenylthiophene2carboxylate
CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C(=C3)OCC)OC(=O)C4=CC=CS4)(N+)(=O)(O)
CCOc1cc(cc(c1OC(=O)c1cccs1)(N+)(=O)(O))C1C(=C(N)Oc2c1c(CCC)n(nH)2)C#N
InChI=1SC23H21N5O6Sc136141918(13(1124)21(25)3422(19)272614)12915(28(30)31)20(16(1012)3242)3323(29)177583517h571018H34625H212H3(H2627)
MFCD03035410
ZINC000008854875
ZINC000008854876
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