Vitas-M small molecule compound

(2E)-3-[4-(benzyloxy)-5-methoxy-2-nitrophenyl]-2-cyano-N-[3-(methylsulfanyl)phenyl]prop-2-enamide

Catalog ID
STK035156
SMILES N#C/C(=C\c1cc(OC)c(cc1[N+](=O)[O-])OCc1ccccc1)/C(=O)Nc1cccc(c1)SC

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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 C25H21N3O5S MW 475.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O5S/c1-32-23-12-18(11-19(15-26)25(29)27-20-9-6-10-21(13-20)34-2)22(28(30)31)14-24(23)33-16-17-7-4-3-5-8-17/h3-14H,16H2,1-2H3,(H,27,29)/b19-11+
InChIKey
CRKDYSQVJRYGDN-YBFXNURJSA-N
Synonyms

(2E)3(4(BENZYLOXY)5METHOXY2NITROPHENYL)2CYANON(3(METHYLSULFANYL)PHENYL)PROP2ENAMIDE
(E)2CYANO3(5METHOXY2NITRO4PHENYLMETHOXYPHENYL)N(3METHYLSULFANYLPHENYL)PROP2ENAMIDE
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)SC)(N+)(=O)(O))OCC3=CC=CC=C3
InChI=1SC25H21N3O5Sc132231218(1119(1526)25(29)2720961021(1320)342)22(28(30)31)1424(23)3316177435817h314H16H212H3(H2729)b1911+
MFCD03558794
N#CC(=Cc1cc(OC)c(cc1(N+)(=O)(O))OCc1ccccc1)C(=O)Nc1cccc(c1)SC
STK035156
ZINC000009246229
ZINC09246229
ZINC9246229

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.