Vitas-M small molecule compound
ethyl 6-cyano-2-{[(3-methoxy-4-propoxyphenyl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK002011
SMILES CCCOc1ccc(cc1OC)C(=O)Nc1sc2c(c1C(=O)OCC)CCC(C2)(C#N)c1ccccc1
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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 C29H30N2O5S MW 518.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O5S/c1-4-15-36-22-12-11-19(16-23(22)34-3)26(32)31-27-25(28(33)35-5-2)21-13-14-29(18-30,17-24(21)37-27)20-9-7-6-8-10-20/h6-12,16H,4-5,13-15,17H2,1-3H3,(H,31,32)InChIKey
ZVLIXZFKMVDYLQ-UHFFFAOYSA-NSynonyms
CCCOC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)(C#N)C4=CC=CC=C4)C(=O)OCC)OC
CCCOc1ccc(cc1OC)C(=O)Nc1sc2c(c1C(=O)OCC)CCC(C2)(C#N)c1ccccc1
ethyl6cyano2(((3methoxy4propoxyphenyl)carbonyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
ETHYL6CYANO2((3METHOXY4PROPOXYBENZOYL)AMINO)6PHENYL57DIHYDRO4H1BENZOTHIOPHENE3CARBOXYLATE
InChI=1SC29H30N2O5Sc14153622121119(1623(22)343)26(32)312725(28(33)3552)21131429(18301724(21)3727)2097681020h61216H45131517H213H3(H3132)
MFCD02187604
STK002011
ZINC000008861330
ZINC000008861331
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